Molecule Details
InChIKeyIYNNJMRCPJPTMI-UXMRNZNESA-N
Compound Name(3S)-3-(2-(5-tert-butyl-2-oxo-3-(2-(thiophen-2-yl)ethylamino)pyrazin-1(2H)-yl)butanamido)-4-oxo-7-phenylheptanoic acid
Canonical SMILESCCC(C(=O)N[C@@H](CC(=O)O)C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NCCc2cccs2)c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.62
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P42574 CASP3 Homo sapiens Human PF00656 7.3 IC50 ChEMBL;BindingDB
Q14790 CASP8 Homo sapiens Human PF01335 PF00656 6.5 IC50 ChEMBL;BindingDB
P55210 CASP7 Homo sapiens Human PF00656 6.0 IC50 ChEMBL;BindingDB