Molecule Details
InChIKeyDWGRSJBIHVFBFL-QBHOUYDASA-N
Compound Name(3S)-3-(2-(3-(3,5-dimethoxybenzylamino)-5-tert-butyl-2-oxopyrazin-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(NCc2cc(OC)cc(OC)c2)c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.47
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 6.8 IC50 ChEMBL;BindingDB
P29466 CASP1 Homo sapiens Human PF00619 PF00656 6.5 IC50 ChEMBL;BindingDB
P55210 CASP7 Homo sapiens Human PF00656 6.1 IC50 ChEMBL;BindingDB