Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMVJWPR)

• Drug Name: TOK-001 Drug Info
• Synonyms: Galeterone; 851983-85-2; Galaterone; VN/124-1; UNII-WA33E149SW; TOK 001; VN/124; WA33E149SW; (3beta)-17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3-ol; (3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol; Galeterone [USAN:INN]; Galeterone (USAN); TOK-001(Galeterone); SCHEMBL939234; GTPL8638; 17-(1H-Benzimidazol-1-yl)androsta-5,16-dien-3beta-ol; CHEMBL2105738; Galeterone, &gt

Indication

Disease Entry	ICD 11	Status	REF
Prostate cancer	2C82.0	Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 11188409
  CAS Number: CAS 851983-85-2
  TTD Drug ID: DMVJWPR

Molecule-Related Drug Atlas

Drug(s) Targeting Androgen receptor (AR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[3]
Flutamide	DMK0O7U	Prostate cancer	2C82.0	Approved	[4]
Darolutamide	DMV7YFT	Prostate cancer	2C82.0	Approved	[5]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[6]
Flufenamic Acid	DMC8VNH	Dysmenorrhea	GA34.3	Approved	[7]
Bicalutamide	DMZMSPF	Prostate cancer	2C82.0	Approved	[8]
Fludrocortisone	DMUDIR8	Addison disease	5A74.0	Approved	[9]
ARN-509	DMT81LZ	Acute myeloid leukaemia	2A60	Approved	[10]
Nilutamide	DMFN07X	Prostate cancer	2C82.0	Approved	[11]
Nandrolone	DMFWKG1	Osteoporosis	FB83.0	Approved	[12]

Drug(s) Affected By Steroid 17-alpha-hydroxylase/17,20 lyase (CYP17A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Etretinate	DM2CZFA	Keratosis	ED56	Approved	[13]
FADROZOLE	DM3C5GZ	Breast cancer	2C60-2C65	Approved	[14]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[15]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[16]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[17]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[17]
Pyruvic acid	DM7Q41G	Malnutrition	5B50-5B71	Approved	[18]
Topiramate	DM82Z30	Alcohol dependence	6C40.2	Approved	[19]
Lamotrigine	DM8SXYG	Bipolar disorder	6A60	Approved	[19]
ABIRATERONE	DM8V75C	Prostate cancer	2C82.0	Approved	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Androgen receptor (AR)	TTS64P2	ANDR_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Steroid 17-alpha-hydroxylase/17,20 lyase (CYP17A1)	OTZKVLVJ	CP17A_HUMAN	Gene/Protein Processing	[2]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8638).
• [2] Novel C-17-heteroaryl steroidal CYP17 inhibitors/antiandrogens: synthesis, in vitro biological activity, pharmacokinetics, and antitumor activity in the LAPC4 human prostate cancer xenograft model. J Med Chem. 2005 Apr 21;48(8):2972-84.
• [3] Dehydroepiandrosterone, glucose-6-phosphate dehydrogenase, and longevity. Ageing Res Rev. 2004 Apr;3(2):171-87.
• [4] Androgen receptor as a target in androgen-independent prostate cancer. Urology. 2002 Sep;60(3 Suppl 1):132-8; discussion 138-9.
• [5] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [6] Molecular mechanism of androgen action. Trends Endocrinol Metab. 1998 Oct 1;9(8):317-24.
• [7] Ouellet M, Percival MD: Effect of inhibitor time-dependency on selectivity towards cyclooxygenase isoforms. Biochem J. 1995 Feb 15;306 ( Pt 1):247-51.
• [8] Androgen receptor overexpression induces tamoxifen resistance in human breast cancer cells. Breast Cancer Res Treat. 2010 May;121(1):1-11.
• [9] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [10] 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
• [11] CX3CR1 is expressed by prostate epithelial cells and androgens regulate the levels of CX3CL1/fractalkine in the bone marrow: potential role in prostate cancer bone tropism. Cancer Res. 2008 Mar 15;68(6):1715-22.
• [12] Expression of androgen receptor on fibroblast and hepatocyte of rats after deep second-degree burn caused by scalding. Sichuan Da Xue Xue Bao Yi Xue Ban. 2005 May;36(3):362-4.
• [13] Retinoids and retinol differentially regulate steroid biosynthesis in ovarian theca cells isolated from normal cycling women and women with polycystic ovary syndrome. J Clin Endocrinol Metab. 2005 Aug;90(8):4858-65. doi: 10.1210/jc.2005-0330. Epub 2005 May 24.
• [14] Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase. J Med Chem. 2005 Mar 10;48(5):1563-75.
• [15] Cinnamic acid based thiazolidinediones inhibit human P450c17 and 3beta-hydroxysteroid dehydrogenase and improve insulin sensitivity independent of PPARgamma agonist activity. J Mol Endocrinol. 2004 Apr;32(2):425-36.
• [16] Use of organ culture to study the human fetal testis development: effect of retinoic acid. J Clin Endocrinol Metab. 2006 Jul;91(7):2696-703.
• [17] Inhibition of CYP17 expression by adrenal androgens and transforming growth factor beta in adrenocortical cells. Acta Biochim Pol. 2004;51(4):907-17.
• [18] Phosphorylation of CtBP1 by cAMP-dependent protein kinase modulates induction of CYP17 by stimulating partnering of CtBP1 and 2. J Biol Chem. 2008 Mar 14;283(11):6925-34. doi: 10.1074/jbc.M708432200. Epub 2008 Jan 9.
• [19] Effects of anticonvulsants on human p450c17 (17alpha-hydroxylase/17,20 lyase) and 3beta-hydroxysteroid dehydrogenase type 2. Epilepsia. 2005 Mar;46(3):444-8.
• [20] A fission yeast-based test system for the determination of IC50 values of anti-prostate tumor drugs acting on CYP21. J Enzyme Inhib Med Chem. 2006 Oct;21(5):547-56.