Molecule Details
InChIKeyBTDDMUHPSLOMLQ-AWEZNQCLSA-N
Compound Name2-tert-butyl-N-[(2S)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-[(1-cyanocyclopropyl)amino]-1-oxopropan-2-yl]triazole-4-carboxamide
Canonical SMILESCC(C)(C)n1ncc(C(=O)N[C@@H](Cc2ccc(OC(F)(F)F)c(Cl)c2)C(=O)NC2(C#N)CC2)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.3
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 8.1 Ki ChEMBL;BindingDB
P10635 CYP2D6 Homo sapiens Human PF00067 6.3 IC50 ChEMBL;BindingDB
Q95PM0 rhodesain Trypanosoma brucei rhodesiense Pathogen PF12131 PF08246 PF00112 7.5 Ki ChEMBL;BindingDB