Drug Information

Drug General Information
Drug ID
DX8DV1
Drug Name
3-(1-Methyl-1H-indol-3-yl)-1-phenyl-4-(1-(3-(1H-1,2,4-triazol-1-yl)propyl)-1H-pyrazolo[3,4-b]pyridine-3-yl)-1Hpyrrole-2,5-dione
Synonyms
CHEMBL559792
Indication Discovery agent Investigative [1587926]
Formula
C30H24N8O2
Canonical SMILES
Cn1cc(C2=C(C(=O)N(C2=O)c3ccccc3)c4nn(CCCn5cncn5)c6ncccc46)c7ccccc17
InChI
InChI=1S/C30H24N8O2/c1-35-17-23(21-11-5-6-13-24(21)35)25-26(30(40)38(29(25)39)20-9-3-2-4-10-20)27-22-12-7-14-32-28(22)37(34-27)16-8-15-36-19-31-18-33-36/h2-7,9-14,17-19H,8,15-16H2,1H3
InChIKey
YRLWXIOFNWVUQB-UHFFFAOYSA-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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.