Molecule Details
InChIKeyQENZECCKNUZHEO-LVXARBLLSA-N
Compound Name(3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-[1-(5-methanesulfonyl-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid
Canonical SMILESCOc1ccc(S(C)(=O)=O)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1c(F)cccc1Cl)C(C)C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.18
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 8.3 IC50 ChEMBL;BindingDB
P55210 CASP7 Homo sapiens Human PF00656 6.9 IC50 ChEMBL;BindingDB
Q14790 CASP8 Homo sapiens Human PF01335 PF00656 6.3 IC50 ChEMBL;BindingDB