Drug General Information
Drug ID
DXW8ZG
Drug Name
(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2,4,6-triisopropylbenzoyl)-3,3a,3b,4,5,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridin-7(2H)-one
Synonyms
CHEMBL2282639
Indication Discovery agent Investigative [1587926]
Formula
C34H49NO2
Canonical SMILES
CC(C)c1cc(C(C)C)c(C(=O)[C@H]2CC[C@H]3[C@@H]4CNC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)c(c1)C(C)C
InChI
InChI=1S/C34H49NO2/c1-19(2)22-15-24(20(3)4)31(25(16-22)21(5)6)32(37)29-10-9-27-26-18-35-30-17-23(36)11-13-34(30,8)28(26)12-14-33(27,29)7/h15-17,19-21,26-29,35H,9-14,18H2,1-8H3/t26-,27-,28-,29+,33-,34+/m0/s1
InChIKey
UKYYVYAVVDHSBL-FUMCBKCWSA-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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