Drug Information

Drug General Information
Drug ID
DXN6QL
Drug Name
3-(17-Diisopropylcarbamoyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)-propionic acid
Synonyms
CHEMBL1627393
Indication Discovery agent Investigative [1587926]
Formula
C28H41NO3
Canonical SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(CCC(=O)O)ccc4[C@H]3CC[C@]12C
InChI
InChI=1S/C28H41NO3/c1-17(2)29(18(3)4)27(32)25-12-11-24-23-10-8-20-16-19(7-13-26(30)31)6-9-21(20)22(23)14-15-28(24,25)5/h6,9,16-18,22-25H,7-8,10-15H2,1-5H3,(H,30,31)/t22-,23-,24+,25-,28+/m1/s1
InChIKey
KTHZDXDKKNUAFK-MOBZEUQDSA-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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