Molecule Details
InChIKeyFZAVLWDWOZHIBJ-NQKMJEHBSA-N
Compound Name(E,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-quinolin-2-ylpropanoyl]amino]-3-methylbutanoyl]amino]-5-phenoxysulfonylpent-4-enoic acid
Canonical SMILESCC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)Oc1ccccc1)CC(=O)O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.97
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 8.0 IC50 ChEMBL;BindingDB
P55211 CASP9 Homo sapiens Human PF00619 PF00656 6.5 IC50 ChEMBL;BindingDB
P55210 CASP7 Homo sapiens Human PF00656 6.4 IC50 ChEMBL;BindingDB