Drug Information

Drug General Information
Drug ID
DX5BQC
Drug Name
(1S,9aR,11aS)-6-Dimethylaminomethyl-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-carboxylic acid diethylamide
Synonyms
CHEMBL311818
Indication Discovery agent Investigative [1587926]
Formula
C26H43N3O2
Canonical SMILES
CCN(CC)C(=O)[C@H]1CCC2C3CNC4=C(CN(C)C)C(=O)CC[C@]4(C)C3CC[C@]12C
InChI
InChI=1S/C26H43N3O2/c1-7-29(8-2)24(31)21-10-9-19-17-15-27-23-18(16-28(5)6)22(30)12-14-26(23,4)20(17)11-13-25(19,21)3/h17,19-21,27H,7-16H2,1-6H3/t17?,19?,20?,21-,25+,26-/m1/s1
InChIKey
XJABMIVRKIDJCJ-WMMRQDBBSA-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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