Drug General Information
Drug ID
DX9WJF
Drug Name
(10R,13S,17S)-10,13-Dimethyl-3-oxo-4-trifluoromethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid tert-butylamide
Synonyms
CHEMBL106472
Indication Discovery agent Investigative [1587926]
Formula
C25H36F3NO2
Canonical SMILES
CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4=C(C(=O)CC[C@]4(C)C3CC[C@]12C)C(F)(F)F
InChI
InChI=1S/C25H36F3NO2/c1-22(2,3)29-21(31)18-9-8-15-14-6-7-17-20(25(26,27)28)19(30)11-13-23(17,4)16(14)10-12-24(15,18)5/h14-16,18H,6-13H2,1-5H3,(H,29,31)/t14?,15?,16?,18-,23-,24+/m1/s1
InChIKey
VEYYQTYTWHFDDG-SRTCYYMSSA-N
Target and Pathway
Target(s) 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Target Info [1587926]
3-oxo-5-alpha-steroid 4-dehydrogenase 2 Target Info [1587926]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Allopregnanolone biosynthesis
Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesishsa00140:Steroid hormone biosynthesis
Prostate cancer
NetPath Pathway IL2 Signaling Pathway
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Androgen biosynthesisR-HSA-193048:Androgen biosynthesis
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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