Drug Information

Drug General Information
Drug ID
DX1DZ6
Drug Name
(10R,13S,17S)-17-[1-(4-Chloro-phenyl)-cyclopentylcarbamoyl]-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms
CHEMBL86418
Indication Discovery agent Investigative [1587926]
Formula
C32H40ClNO3
Canonical SMILES
C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(=O)O)C1CC[C@@H]2C(=O)NC5(CCCC5)c6ccc(Cl)cc6
InChI
InChI=1S/C32H40ClNO3/c1-30-17-13-20(29(36)37)19-22(30)7-10-24-25-11-12-27(31(25,2)18-14-26(24)30)28(35)34-32(15-3-4-16-32)21-5-8-23(33)9-6-21/h5-9,19,24-27H,3-4,10-18H2,1-2H3,(H,34,35)(H,36,37)/t24?,25?,26?,27-,30+,31+/m1/s1
InChIKey
OZCCZZLCHJSNCZ-GDCZLOQASA-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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