Molecule Details
InChIKeyKNPHXKWUIHWCRM-NFGXINMFSA-N
Compound Name(2S)-N-[(1S)-1-cyano-2-phenylethyl]-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanamide
Canonical SMILESCC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc([C@@H](O)C(F)F)cc2)cc1)C(F)(F)F)C(=O)N[C@H](C#N)Cc1ccccc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.54
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07858 CTSB Homo sapiens Human PF00112 PF08127 7.3 IC50 ChEMBL;BindingDB
Q9UBX1 CTSF Homo sapiens Human PF08246 PF00112 7.2 IC50 ChEMBL;BindingDB
P25779 Trypanosoma cruzi Pathogen PF12131 PF08246 PF00112 8.1 IC50 ChEMBL;BindingDB