Molecule Details
InChIKeyUUEMWRIOZLIPHU-BHWOMJMDSA-N
Compound Name(3S)-3-[2-[5-tert-butyl-2-oxo-3-(2H-tetrazol-5-ylamino)pyrazin-1-yl]butanoylamino]-5-[hexyl(methyl)amino]-4-oxopentanoic acid
Canonical SMILESCCCCCCN(C)CC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(Nc2nnn[nH]2)c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Homologous
Avg pChEMBL7.66
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P29466 CASP1 Homo sapiens Human PF00619 PF00656 8.5 IC50 ChEMBL
P42574 CASP3 Homo sapiens Human PF00656 8.2 IC50 ChEMBL
P55210 CASP7 Homo sapiens Human PF00656 7.2 IC50 ChEMBL
Q14790 CASP8 Homo sapiens Human PF01335 PF00656 6.8 IC50 ChEMBL