Molecule Details
InChIKeyGCDOZFZRBUNMDE-OYKVQYDMSA-N
Compound Name(S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-[1,2,4]triazol-1-yl-ethylamino)-2H-pyrazin-1-yl]-butyrylamino}-pentanoic acid
Canonical SMILESCCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.66
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P42574 CASP3 Homo sapiens Human PF00656 9.2 IC50 ChEMBL;BindingDB
P29466 CASP1 Homo sapiens Human PF00619 PF00656 8.7 IC50 BindingDB
P55210 CASP7 Homo sapiens Human PF00656 8.0 IC50 BindingDB