Drug General Information
Drug ID
DXH8WJ
Drug Name
(17-Diisopropylcarbamoyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)-difluoro-acetic acid
Synonyms
CHEMBL1627392
Indication Discovery agent Investigative [1587926]
Formula
C27H37F2NO3
Canonical SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@]12C)C(F)(F)C(=O)O
InChI
InChI=1S/C27H37F2NO3/c1-15(2)30(16(3)4)24(31)23-11-10-22-21-8-6-17-14-18(27(28,29)25(32)33)7-9-19(17)20(21)12-13-26(22,23)5/h7,9,14-16,20-23H,6,8,10-13H2,1-5H3,(H,32,33)/t20-,21-,22+,23-,26+/m1/s1
InChIKey
MQFNLXNKCGCDSL-OPMJLWCUSA-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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