Molecule Details
InChIKeyBEIBKHNBLYXXAR-DQEYMECFSA-N
Compound Name(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(pyridin-4-yl)phenyl]phenyl}ethyl]amino}pentanamide
Canonical SMILESCC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(-c3ccncc3)cc2)cc1)C(F)(F)F)C(=O)NCC#N
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.51
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P25774 CTSS Homo sapiens Human PF08246 PF00112 6.7 IC50 ChEMBL;BindingDB
P07711 CTSL Homo sapiens Human PF08246 PF00112 6.5 IC50 ChEMBL;BindingDB
P07858 CTSB Homo sapiens Human PF00112 PF08127 6.3 IC50 ChEMBL;BindingDB