Drug Information

Drug General Information
Drug ID
DXU4RM
Drug Name
(1S,3aS,3bS,9aR,9bS,11aS)-N-tert-butyl-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide
Synonyms
CHEMBL2282650
Indication Discovery agent Investigative [1587926]
Formula
C25H40N2O2
Canonical SMILES
CN1C[C@H]2[C@@H]3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]4(C)CCC(=O)C(=C14)C
InChI
InChI=1S/C25H40N2O2/c1-15-20(28)11-13-25(6)18-10-12-24(5)17(16(18)14-27(7)21(15)25)8-9-19(24)22(29)26-23(2,3)4/h16-19H,8-14H2,1-7H3,(H,26,29)/t16-,17-,18-,19+,24-,25+/m0/s1
InChIKey
GZMHUKMSMHOGAI-QPLKWUTOSA-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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