Molecule Details
InChIKeyUUTWTWROPLXGDT-OYKVQYDMSA-N
Compound Name(S)-5-Benzylsulfanyl-3-(2-{3-[2-(3-methyl-[1,2,4]oxadiazol-5-yl)-ethylamino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid
Canonical SMILESCCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCc2nc(C)no2)c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.06
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 8.6 IC50 ChEMBL;BindingDB
Q14790 CASP8 Homo sapiens Human PF01335 PF00656 8.0 IC50 BindingDB
P29466 CASP1 Homo sapiens Human PF00619 PF00656 7.5 IC50 ChEMBL;BindingDB