Drug Information

Drug General Information
Drug ID
DXK3QT
Drug Name
17-Diisopropylcarbamoyl-13-methyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms
CHEMBL366660
Indication Discovery agent Investigative [1587926]
Formula
C26H39NO3
Canonical SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@@H]4C3CC[C@]12C)C(=O)O
InChI
InChI=1S/C26H39NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h6,14-16,19-23H,7-13H2,1-5H3,(H,29,30)/t19-,20?,21?,22?,23+,26-/m0/s1
InChIKey
MPQGKRPBJJRBJF-LRAWIOBMSA-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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