Drug General Information
Drug ID
DX5EOF
Drug Name
(17-Diisopropylcarbamoyl-10,13-dimethyl-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)-acetic acid
Synonyms
CHEMBL301123
Indication Discovery agent Investigative [1587926]
Formula
C28H45NO3
Canonical SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC[C@H]4C=C(CC(=O)O)CC[C@]4(C)C3CC[C@]12C
InChI
InChI=1S/C28H45NO3/c1-17(2)29(18(3)4)26(32)24-10-9-22-21-8-7-20-15-19(16-25(30)31)11-13-27(20,5)23(21)12-14-28(22,24)6/h15,17-18,20-24H,7-14,16H2,1-6H3,(H,30,31)/t20-,21?,22?,23?,24+,27-,28-/m0/s1
InChIKey
FXXQHWJUWVIDGU-ODUWWZQZSA-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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