Drug General Information
Drug ID
DXZ4AP
Drug Name
(4aR,6aS)-4a,6a-Dimethyl-7-(2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-1,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-indeno[5,4-f]quinolin-2-one
Synonyms
CHEMBL326439
Indication Discovery agent Investigative [1587926]
Formula
C29H38N2O2
Canonical SMILES
C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)N5CCCCc6ccccc56
InChI
InChI=1S/C29H38N2O2/c1-28-16-14-22-20(10-13-25-29(22,2)17-15-26(32)30-25)21(28)11-12-23(28)27(33)31-18-6-5-8-19-7-3-4-9-24(19)31/h3-4,7,9,15,17,20-23,25H,5-6,8,10-14,16,18H2,1-2H3,(H,30,32)/t20?,21?,22?,23?,25?,28-,29+/m0/s1
InChIKey
SJNCHOWFWAZDQC-BDDLEYSBSA-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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