Drug Information

Drug General Information
Drug ID
DX6BQD
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 (2-benzoyl-phenyl)-amide
Synonyms
CHEMBL325572
Indication Discovery agent Investigative [1587926]
Formula
C32H36N2O3
Canonical SMILES
C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc5ccccc5C(=O)c6ccccc6
InChI
InChI=1S/C32H36N2O3/c1-31-18-16-24-21(12-15-27-32(24,2)19-17-28(35)34-27)23(31)13-14-25(31)30(37)33-26-11-7-6-10-22(26)29(36)20-8-4-3-5-9-20/h3-11,17,19,21,23-25,27H,12-16,18H2,1-2H3,(H,33,37)(H,34,35)/t21?,23?,24?,25?,27?,31-,32+/m0/s1
InChIKey
XHCZHNMQNZIKSK-YJKKPMLSSA-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.