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

General Information of DTT (ID: TTRA5BZ)

• DTT Name: Steroid 17-alpha-monooxygenase (S17AH) DTT Info
• Gene Name: CYP17A1

Molecule-Related Drug & Molecule List

2 Approved Drug(s) Transported by This DTP

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ABIRATERONE	DM8V75C	Prostate cancer	2C82.0	Approved	[1]
Abiraterone acetate	DMANBZI	Prostate cancer	2C82.0	Approved	[2]

5 Clinical Trial Drug(s) Transported by This DTP

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
TAK-700	DM2H8FZ	Prostate cancer	2C82.0	Phase 3	[3]
TAVT-45	DMHBRGT	Prostate cancer	2C82.0	Phase 3	[4]
Seviteronel	DM9IMEZ	Breast cancer	2C60-2C65	Phase 2	[5]
CFG920	DM2BXDU	Prostate cancer	2C82.0	Phase 1/2	[6]
DST-2970	DM69ZBU	Prostate cancer	2C82.0	Phase 1	[7]

89 Investigative Drug(s) Transported by This DTP

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
1-((9H-Fluoren-2-yl)ethyl)-1H-imidazole	DMGRV8U	Discovery agent	N.A.	Investigative	[8]
1-((9H-Fluoren-2-yl)methyl)-1H-imidazole	DMPBJ9L	Discovery agent	N.A.	Investigative	[8]
1-(1-(4'-Ethylbiphenyl-4-yl)propyl)-1H-imidazole	DMOQPKT	Discovery agent	N.A.	Investigative	[8]
1-(1-(4-thiophen-3-yl-phenyl)propyl)-1Himidazole	DMQF2N5	Discovery agent	N.A.	Investigative	[9]
1-(1-(4-thiophen-3-ylphenyl)ethyl)-1H-imidazole	DMEIH5N	Discovery agent	N.A.	Investigative	[9]
1-(1-(Biphenyl-4-yl)allyl)-1H-imidazole	DMLJ7WA	Discovery agent	N.A.	Investigative	[8]
1-(1-Biphenyl-4-yl-2-methyl-propyl)-1H-imidazole	DMPEIQT	Discovery agent	N.A.	Investigative	[8]
1-(1-Biphenyl-4-yl-2-phenyl-ethyl)-1H-imidazole	DMCTF8X	Discovery agent	N.A.	Investigative	[8]
1-(1-Biphenyl-4-yl-3-methyl-butyl)-1H-imidazole	DMWME7I	Discovery agent	N.A.	Investigative	[8]
1-(1-Biphenyl-4-yl-butyl)-1H-imidazole	DM4XILF	Discovery agent	N.A.	Investigative	[8]
1-(1-Biphenyl-4-yl-ethyl)-1H-imidazole	DMW85CH	Discovery agent	N.A.	Investigative	[8]
1-(1-Biphenyl-4-yl-pentyl)-1H-imidazole	DM3AD7E	Discovery agent	N.A.	Investigative	[8]
1-(1-Biphenyl-4-yl-propyl)-1H-imidazole	DMGVE3F	Discovery agent	N.A.	Investigative	[8]
1-(3,4-dichlorobenzyl)-1H-imidazole	DMX6PKO	Discovery agent	N.A.	Investigative	[10]
1-(3,4-difluorobenzyl)-1H-imidazole	DMRXD2P	Discovery agent	N.A.	Investigative	[10]
1-(3,5-bis(trifluoromethyl)benzyl)-1H-imidazole	DM5WOK8	Discovery agent	N.A.	Investigative	[10]
1-(3,5-dibromobenzyl)-1H-imidazole	DMNRCM0	Discovery agent	N.A.	Investigative	[10]
1-(3,5-dichlorobenzyl)-1H-imidazole	DMLSWHP	Discovery agent	N.A.	Investigative	[10]
1-(3,5-difluorobenzyl)-1H-imidazole	DMEAI6V	Discovery agent	N.A.	Investigative	[10]
1-(3-(4-chlorophenyl)propyl)-1H-imidazole	DMIFARP	Discovery agent	N.A.	Investigative	[11]
1-(3-(4-fluorophenyl)propyl)-1H-imidazole	DMWKXZ2	Discovery agent	N.A.	Investigative	[11]
1-(3-phenylpropyl)-1H-imidazole	DMPAWFJ	Discovery agent	N.A.	Investigative	[11]
1-(4-Bromobenzyl)-1H-imidazole	DM2C7U0	Discovery agent	N.A.	Investigative	[11]
1-(4-bromophenethyl)-1H-imidazole	DME8B15	Discovery agent	N.A.	Investigative	[11]
1-(4-chlorobenzyl)-1H-imidazole	DMBR9TQ	Discovery agent	N.A.	Investigative	[11]
1-(4-chlorophenethyl)-1H-imidazole	DM9MDZG	Discovery agent	N.A.	Investigative	[11]
1-(4-fluorobenzyl)-1H-imidazole	DMBJCGA	Discovery agent	N.A.	Investigative	[11]
1-(4-iodobenzyl)-1H-imidazole	DMM17I0	Discovery agent	N.A.	Investigative	[12]
1-(4-methyl-benzyl)-1H-imidazole	DM48ISZ	Discovery agent	N.A.	Investigative	[10]
1-(4-nitrobenzyl)-1H-imidazole	DMKT2MB	Discovery agent	N.A.	Investigative	[10]
1-(Bis-biphenyl-4-yl-methyl)-1H-imidazole	DMF3D5R	Discovery agent	N.A.	Investigative	[8]
1-Ethyl-5-(imidazol-1-yl-phenyl-methyl)-1H-indole	DMUOSJG	Discovery agent	N.A.	Investigative	[13]
1-Imidazol-1-ylmethyl-4-nitro-xanthen-9-one	DMN7KHS	Discovery agent	N.A.	Investigative	[14]
1-Imidazol-1-ylmethylxanthen-9-one	DMIDX7P	Discovery agent	N.A.	Investigative	[15]
2,3,4,5-Tetrafluoro-6-pentafluorophenylazo-phenol	DMGQE4B	Discovery agent	N.A.	Investigative	[16]
2,3,5,6-Tetrafluoro-4-pentafluorophenylazo-phenol	DMRVYKQ	Discovery agent	N.A.	Investigative	[16]
2-(1-Imidazol-1-yl-ethyl)-9H-carbazole	DM4MIXK	Discovery agent	N.A.	Investigative	[8]
3-(1-Chloro-7-methoxy-naphthalen-2-yl)-pyridine	DMLH7YI	Discovery agent	N.A.	Investigative	[17]
3-(1-ethyl-3,4-dihydronaphthalen-2-yl)-pyridine	DMR7M82	Discovery agent	N.A.	Investigative	[18]
3-(1-methyl-3,4-dihydronaphthalen-2-yl)-pyridine	DMU5HMC	Discovery agent	N.A.	Investigative	[18]
3-(6-Ethoxy-naphthalen-2-yl)-pyridine	DMUQ0WI	Discovery agent	N.A.	Investigative	[17]
3-(6-methoxy-3,4-dihydronaphthalen-2-yl)pyridine	DMAJHXO	Discovery agent	N.A.	Investigative	[18]
3-(6-methoxynaphthalen-2-yl)pyridine	DMYRJAB	Discovery agent	N.A.	Investigative	[19]
3-fluoro-4'-(1-(pyridin-4-yl)propyl)biphenyl-4-ol	DM4PLSU	Discovery agent	N.A.	Investigative	[20]
3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol	DMJ3WNP	Discovery agent	N.A.	Investigative	[21]
3-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine	DMHISM2	Discovery agent	N.A.	Investigative	[21]
3-[4-Fluoro-indan-(1Z)-ylidenemethyl]-pyridine	DMPS340	Discovery agent	N.A.	Investigative	[22]
4'-(1-(pyridin-4-yl)propyl)biphenyl-3-ol	DMEW1CP	Discovery agent	N.A.	Investigative	[20]
4'-(2-methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol	DM6DSNI	Discovery agent	N.A.	Investigative	[20]
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diamine	DMZ0H5X	Discovery agent	N.A.	Investigative	[21]
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol	DM6Z5EK	Discovery agent	N.A.	Investigative	[21]
4'-(Pyridin-4-ylmethyl)biphenyl-3-amine	DMR8O1B	Discovery agent	N.A.	Investigative	[21]
4'-(Pyridin-4-ylmethyl)biphenyl-4-amine	DM8HXYS	Discovery agent	N.A.	Investigative	[21]
4'-(Pyridin-4-ylmethyl)biphenyl-4-carboxamide	DMYXMT6	Discovery agent	N.A.	Investigative	[21]
4-((1H-imidazol-1-yl)methyl)benzonitrile	DMFUBRC	Discovery agent	N.A.	Investigative	[10]
4-((1H-imidazol-1-yl)methyl)phenol	DMYDGH4	Discovery agent	N.A.	Investigative	[12]
4-((3',4'-Difluorobiphenyl-4-yl)methyl)pyridine	DMHN5OL	Discovery agent	N.A.	Investigative	[21]
4-(4'-Fluoro-biphenyl-4-ylmethyl)pyridine	DM52NMU	Discovery agent	N.A.	Investigative	[21]
4-(4-(thiophen-2-yl)benzyl)pyridine	DMVXJU6	Discovery agent	N.A.	Investigative	[21]
4-(4-(thiophen-3-yl)benzyl)pyridine	DM7I21V	Discovery agent	N.A.	Investigative	[21]
4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one	DMMVASI	Discovery agent	N.A.	Investigative	[14]
4-Indan-(1Z)-ylidenemethyl-pyridine	DM25DR7	Discovery agent	N.A.	Investigative	[22]
4-[(3'-Hydroxybiphenyl-4-yl)methyl]pyridine	DM04MK7	Discovery agent	N.A.	Investigative	[21]
4-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine	DMIEMWA	Discovery agent	N.A.	Investigative	[21]
4-[1-(4'-Methoxybiphenyl-4-yl)propyl]pyridine	DMCEABJ	Discovery agent	N.A.	Investigative	[21]
4-[4-(6-methoxynaphthalen-2-yl)benzyl]pyridine	DM62351	Discovery agent	N.A.	Investigative	[21]
4-[5-Bromo-indan-(1E)-ylidenemethyl]-pyridine	DMI7YAQ	Discovery agent	N.A.	Investigative	[22]
4-[5-Bromo-indan-(1Z)-ylidenemethyl]-pyridine	DMQKHXN	Discovery agent	N.A.	Investigative	[22]
4-[5-Chloro-indan-(1E)-ylidenemethyl]-pyridine	DMZL8KN	Discovery agent	N.A.	Investigative	[22]
4-[5-Chloro-indan-(1Z)-ylidenemethyl]-pyridine	DM1Z3DG	Discovery agent	N.A.	Investigative	[22]
4-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyridine	DMY08FE	Discovery agent	N.A.	Investigative	[22]
4-[5-Fluoro-indan-(1Z)-ylidenemethyl]-pyridine	DMHDZUO	Discovery agent	N.A.	Investigative	[22]
5-[4-(Pyridin-4-ylmethyl)phenyl]-1H-indole	DMW8RLN	Discovery agent	N.A.	Investigative	[21]
5-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyrimidine	DM2RIHT	Discovery agent	N.A.	Investigative	[22]
6-(3-(pyridin-4-yl)phenyl)naphthalen-2-ol	DMA8TWC	Discovery agent	N.A.	Investigative	[23]
6-(pyridin-3-yl)-2-naphthonitrile	DMC3SJI	Discovery agent	N.A.	Investigative	[19]
6-Pyridin-3-yl-3,4-dihydroquinoline-2(1H)-thione	DMHAS2B	Discovery agent	N.A.	Investigative	[19]
6-Pyridin-3-yl-naphthalen-2-ol	DMGWNDB	Discovery agent	N.A.	Investigative	[17]
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol	DM40LQ9	Discovery agent	N.A.	Investigative	[21]
7-(1-(1H-imidazol-1-yl)ethyl)-9H-fluoren-2-ol	DMRPFNU	Discovery agent	N.A.	Investigative	[8]
ANG-3407	DMVI93X	Prostate cancer	2C82.0	Investigative	[24]
ISOCONAZOLE	DMMF1HX	Discovery agent	N.A.	Investigative	[25]
N-(4'-Isonicotinoylbiphenyl-3-yl)acetamide	DM2N3TG	Discovery agent	N.A.	Investigative	[21]
N-3-(4-bromophenyl)propyl imidazole	DMFRD09	Discovery agent	N.A.	Investigative	[11]
Rac-4'-(1-Imidazol-1-yl-propyl)-biphenyl-3,4-diol	DMTN7IU	Discovery agent	N.A.	Investigative	[26]
Rac-4'-(1-Imidazol-1-yl-propyl)-biphenyl-3,5-diol	DMQYRAB	Discovery agent	N.A.	Investigative	[26]
Rac-4'-(1-Imidazol-1-yl-propyl)-biphenyl-3-ol	DMH2CX5	Discovery agent	N.A.	Investigative	[26]
Rac-4'-(1-Imidazol-1-yl-propyl)-biphenyl-4-ol	DMUQ6FW	Discovery agent	N.A.	Investigative	[26]
VN/107-1	DMJRI6A	Prostate cancer	2C82.0	Investigative	[24]

References

• [1] 2011 FDA drug approvals. Nat Rev Drug Discov. 2012 Feb 1;11(2):91-4.
• [2] CYP17A1 inhibitors in castration-resistant prostate cancer.Steroids.2015 Mar;95:80-7.
• [3] Orteronel (TAK-700), a novel non-steroidal 17,20-lyase inhibitor: effects on steroid synthesis in human and monkey adrenal cells and serum steroid levels in cynomolgus monkeys. J Steroid Biochem Mol Biol. 2012 Apr;129(3-5):115-28.
• [4] Clinical pipeline report, company report or official report of Tavanta Therapeutics
• [5] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [6] Recent progress in pharmaceutical therapies for castration-resistant prostate cancer. Int J Mol Sci. 2013 Jul 4;14(7):13958-78.
• [7] Clinical pipeline report, company report or official report of DisperSol Technologies.
• [8] Synthesis, biological evaluation, and molecular modeling studies of methylene imidazole substituted biaryls as inhibitors of human 17alpha-hydroxyl... Bioorg Med Chem. 2008 Aug 15;16(16):7715-27.
• [9] Synthesis, biological evaluation and molecular modelling studies of methyleneimidazole substituted biaryls as inhibitors of human 17alpha-hydroxyla... Bioorg Med Chem. 2008 Feb 15;16(4):1992-2010.
• [10] Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hy... Bioorg Med Chem Lett. 2006 Aug 1;16(15):4011-5.
• [11] Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a range of 4-substituted phenyl alkyl imidazole-based inhibitor... Bioorg Med Chem Lett. 2006 Sep 15;16(18):4752-6.
• [12] Synthesis and biochemical evaluation of a range of (4-substituted phenyl)sulfonate derivatives of 4-hydroxybenzyl imidazole-based compounds as pote... Bioorg Med Chem Lett. 2010 Sep 1;20(17):5345-8.
• [13] New selective nonsteroidal aromatase inhibitors: synthesis and inhibitory activity of 2,3 or 5-(alpha-azolylbenzyl)-1H-indoles. Bioorg Med Chem Lett. 1999 Feb 8;9(3):333-6.
• [14] A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 2001 Mar 1;44(5):672-80.
• [15] Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation. J Med Chem. 2010 Jul 22;53(14):5347-51.
• [16] Hydroxyperfluoroazobenzenes: novel inhibitors of enzymes of androgen biosynthesis. J Med Chem. 1990 Sep;33(9):2452-5.
• [17] Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart fa... J Med Chem. 2005 Oct 20;48(21):6632-42.
• [18] Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B... J Med Chem. 2006 Apr 6;49(7):2222-31.
• [19] In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-... J Med Chem. 2008 Dec 25;51(24):8077-87.
• [20] Isopropylidene substitution increases activity and selectivity of biphenylmethylene 4-pyridine type CYP17 inhibitors. J Med Chem. 2010 Jul 8;53(13):5049-53.
• [21] Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prosta... J Med Chem. 2010 Aug 12;53(15):5749-58.
• [22] Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitor... J Med Chem. 2005 Mar 10;48(5):1563-75.
• [23] Synthesis, biological evaluation and molecular modelling studies of novel ACD- and ABD-ring steroidomimetics as inhibitors of CYP17. Bioorg Med Chem Lett. 2008 Jan 1;18(1):267-73.
• [24] 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. (Target id: 1361).
• [25] Three dimensional pharmacophore modeling of human CYP17 inhibitors. Potential agents for prostate cancer therapy. J Med Chem. 2003 Jun 5;46(12):2345-51.
• [26] Novel CYP17 inhibitors: synthesis, biological evaluation, structure-activity relationships and modelling of methoxy- and hydroxy-substituted methyl... Eur J Med Chem. 2009 Jul;44(7):2765-75.