Drug Information

Drug General Information
Drug ID
DXM0EU
Drug Name
4-{3-[(R)-2-(4-Isobutyl-phenyl)-2-methyl-benzo[1,3]dioxole-5-carbonyl]-indol-1-yl}-butyric acid
Synonyms
CHEMBL279206
Indication Discovery agent Investigative [1587926]
Formula
C31H31NO5
Canonical SMILES
CC(C)Cc1ccc(cc1)[C@]2(C)Oc3ccc(cc3O2)C(=O)c4cn(CCCC(=O)O)c5ccccc45
InChI
InChI=1S/C31H31NO5/c1-20(2)17-21-10-13-23(14-11-21)31(3)36-27-15-12-22(18-28(27)37-31)30(35)25-19-32(16-6-9-29(33)34)26-8-5-4-7-24(25)26/h4-5,7-8,10-15,18-20H,6,9,16-17H2,1-3H3,(H,33,34)/t31-/m1/s1
InChIKey
KIMLMLODGDVZSJ-WJOKGBTCSA-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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