Drug Information

Drug General Information
Drug ID
DX2EFG
Drug Name
(4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid biphenyl-2-ylamide
Synonyms
CHEMBL111142
Indication Discovery agent Investigative [1587926]
Formula
C31H36N2O2
Canonical SMILES
C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc5ccccc5c6ccccc6
InChI
InChI=1S/C31H36N2O2/c1-30-18-16-24-22(12-15-27-31(24,2)19-17-28(34)33-27)23(30)13-14-25(30)29(35)32-26-11-7-6-10-21(26)20-8-4-3-5-9-20/h3-11,17,19,22-25,27H,12-16,18H2,1-2H3,(H,32,35)(H,33,34)/t22?,23?,24?,25?,27?,30-,31+/m0/s1
InChIKey
OCGUCXJWMSZWDY-KSFPCWAESA-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.