Drug Information

Drug General Information
Drug ID
DXR1WU
Drug Name
(1S,9aR,11aS)-6-Chloro-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 (4-chloro-phenyl)-cyclopentyl-amide
Synonyms
CHEMBL283430
Indication Discovery agent Investigative [1587926]
Formula
C30H38Cl2N2O2
Canonical SMILES
C[C@]12CCC3C(CNC4=C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(C5CCCC5)c6ccc(Cl)cc6
InChI
InChI=1S/C30H38Cl2N2O2/c1-29-15-13-23-21(17-33-27-26(32)25(35)14-16-30(23,27)2)22(29)11-12-24(29)28(36)34(19-5-3-4-6-19)20-9-7-18(31)8-10-20/h7-10,19,21-24,33H,3-6,11-17H2,1-2H3/t21?,22?,23?,24-,29+,30-/m1/s1
InChIKey
BBYABNFXUAVLAL-OFZUXSOTSA-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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