Molecule Details
InChIKeyBOVUCBVHLWEVEP-HNNXBMFYSA-N
Compound NameN-[(2S)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-[(1-cyanocyclopropyl)amino]-1-oxopropan-2-yl]-2-(6-fluoropyridin-3-yl)triazole-4-carboxamide
Canonical SMILESN#CC1(NC(=O)[C@H](Cc2ccc(OC(F)(F)F)c(Cl)c2)NC(=O)c2cnn(-c3ccc(F)nc3)n2)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.9
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 6.8 Ki ChEMBL;BindingDB
P10635 CYP2D6 Homo sapiens Human PF00067 6.0 IC50 ChEMBL;BindingDB
Q95PM0 rhodesain Trypanosoma brucei rhodesiense Pathogen PF12131 PF08246 PF00112 7.8 Ki ChEMBL;BindingDB