Drug Information

Drug General Information
Drug ID
DXW0KQ
Drug Name
(1S,3aS,3bS,9aR,9bS,11aS)-5-benzyl-N,N-diethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide
Synonyms
CHEMBL2282663
Indication Discovery agent Investigative [1587926]
Formula
C30H42N2O2
Canonical SMILES
CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN(Cc4ccccc4)C5=CC(=O)CC[C@]5(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C30H42N2O2/c1-5-31(6-2)28(34)26-13-12-24-23-20-32(19-21-10-8-7-9-11-21)27-18-22(33)14-16-30(27,4)25(23)15-17-29(24,26)3/h7-11,18,23-26H,5-6,12-17,19-20H2,1-4H3/t23-,24-,25-,26+,29-,30+/m0/s1
InChIKey
HMRDIUPRZAHDHF-QOGAHWSHSA-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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