Molecule Details
InChIKeyGMHBWGMFTPGDOI-UKILVPOCSA-N
Compound Name(2S)-3,3-dimethyl-1-{4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl}butan-2-yl N-[(3S)-2-oxo-1-(pyridine-2-sulfonamido)heptan-3-yl]carbamate
Canonical SMILESCCCC[C@H](NC(=O)O[C@H](Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.61
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P43235 CTSK Homo sapiens Human PF08246 PF00112 8.1 IC50 ChEMBL;BindingDB
P25774 CTSS Homo sapiens Human PF08246 PF00112 7.6 IC50 ChEMBL;BindingDB
P07858 CTSB Homo sapiens Human PF00112 PF08127 7.1 IC50 ChEMBL;BindingDB