Drug General Information
Drug ID
DX2QLZ
Drug Name
(9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms
CHEMBL2311126
Indication Discovery agent Investigative [1587926]
Formula
C26H41NO3
Canonical SMILES
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(C)C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O
InChI
InChI=1S/C26H41NO3/c1-23(2,3)27-21(28)20-8-7-18-17-10-12-24(4)15-16(22(29)30)9-14-26(24,6)19(17)11-13-25(18,20)5/h15,17-20H,7-14H2,1-6H3,(H,27,28)(H,29,30)/t17-,18-,19-,20+,24-,25-,26+/m0/s1
InChIKey
FMDXTNQGJGDFAM-ZRWDRTFESA-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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.