Molecule Details
InChIKeyMNAXVQLJZGETJF-LBAUFKAWSA-N
Compound Name(S)-5-{[(Ethyl-methyl-amino)-methyl]-amino}-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid
Canonical SMILESCCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.54
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 9.1 IC50 ChEMBL;BindingDB
P29466 CASP1 Homo sapiens Human PF00619 PF00656 8.8 IC50 ChEMBL;BindingDB
P55210 CASP7 Homo sapiens Human PF00656 7.8 IC50 ChEMBL;BindingDB