Drug General Information
Drug ID
DXE8I8
Drug Name
(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid tert-butylamide
Synonyms
CHEMBL78382
Indication Discovery agent Investigative [1587926]
Formula
C23H34N2O2
Canonical SMILES
CC(C)(C)NC(=O)[C@H]1CCC2C3CN=C4C=C(O)C=C[C@]4(C)C3CC[C@]12C
InChI
InChI=1S/C23H34N2O2/c1-21(2,3)25-20(27)18-7-6-16-15-13-24-19-12-14(26)8-10-23(19,5)17(15)9-11-22(16,18)4/h8,10,12,15-18,26H,6-7,9,11,13H2,1-5H3,(H,25,27)/t15?,16?,17?,18-,22+,23-/m1/s1
InChIKey
CXIZEAWVDWCMQV-UBCBZESQSA-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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