Molecule Details
InChIKeyGNSDDKAAHUFOKJ-UHFFFAOYSA-N
Compound Name9-[5-(4,6-difluoro-1H-benzimidazol-2-ylsulfanyl)-furan-2-yl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylic acid ethyl ester
Canonical SMILESCCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3c(F)cc(F)cc3[nH]2)o1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.5
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q96GD4 AURKB Homo sapiens Human PF00069 8.4 IC50 ChEMBL;BindingDB
O14965 AURKA Homo sapiens Human PF00069 8.1 IC50 ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 6.0 IC50 ChEMBL;BindingDB