Molecule Details
InChIKeyVPGYQTGJKYIUMA-UHFFFAOYSA-N
Compound Name4-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]benzonitrile
Canonical SMILESCc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(c1ccc(C#N)cc1)C2=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.91
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P27487 DPP4 Homo sapiens Human PF00930 PF00326 8.4 Ki ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 6.2 IC50 ChEMBL;BindingDB
Q6V1X1 DPP8 Homo sapiens Human PF19520 PF00930 PF00326 6.2 Ki ChEMBL;BindingDB