Molecule Details
InChIKeyJIKLDOKHOPBGQI-OAQYLSRUSA-N
Compound Nameethyl (9S)-6-(2-aminoacetyl)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-oxo-4,5,7,9-tetrahydro-2H-pyrrolo[3,4-b][1,7]naphthyridine-3-carboxylate
Canonical SMILESCCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CN(C(=O)CN)C1)[C@H]2c1ccc(Sc2nc3ccccc3[nH]2)o1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.47
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 7.7 IC50 ChEMBL;BindingDB
P08684 CYP3A4 Homo sapiens Human PF00067 6.3 IC50 ChEMBL;BindingDB