Molecule Details
InChIKeyPHUPMBKAOHPRFE-ZDERHKTGSA-N
Compound NameN-[(2S)-3-(3-chlorophenyl)-1-[[(1R,2R)-1-cyano-2-phenylmethoxypropyl]amino]-1-oxopropan-2-yl]-3-pyridin-3-ylbenzamide
Canonical SMILESC[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(-c2cccnc2)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.31
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07711 CTSL Homo sapiens Human PF08246 PF00112 9.0 Ki ChEMBL;BindingDB
P07858 CTSB Homo sapiens Human PF00112 PF08127 8.0 IC50 ChEMBL;BindingDB
P25774 CTSS Homo sapiens Human PF08246 PF00112 7.9 Ki ChEMBL;BindingDB