Drug Information

Drug General Information
Drug ID
DXL6RH
Drug Name
(1S,3aS,3bS,9aR,9bS,11aS)-N-benzhydryl-9a,11a-dimethyl-7-oxo-5-propyl-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide
Synonyms
CHEMBL2282643
Indication Discovery agent Investigative [1587926]
Formula
C35H42N2O2
Canonical SMILES
CCCN1C[C@H]2[C@@H]3CC[C@H](C(=O)NC(c4ccccc4)c5ccccc5)[C@@]3(C)CC[C@@H]2[C@@]6(C)C=CC(=O)C=C16
InChI
InChI=1S/C35H42N2O2/c1-4-21-37-23-27-28-15-16-30(34(28,2)20-18-29(27)35(3)19-17-26(38)22-31(35)37)33(39)36-32(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-14,17,19,22,27-30,32H,4,15-16,18,20-21,23H2,1-3H3,(H,36,39)/t27-,28-,29-,30+,34-,35+/m0/s1
InChIKey
RAHAEYSVRGAPDR-VQGFFRNUSA-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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