Molecule Details
InChIKeyZDVISXXOPXEHTP-URLMMPGGSA-N
Compound Name3-(ethylamino)-N-((2S,3R)-3-hydroxy-1-phenyl-4-(2-(3-(trifluoromethyl)phenyl)propan-2-ylamino)butan-2-yl)-5-(2-oxopyrrolidin-1-yl)benzamide
Canonical SMILESCCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCC2=O)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.67
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P56817 BACE1 Homo sapiens Human PF00026 7.8 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 6.2 IC50 ChEMBL;BindingDB
P07339 CTSD Homo sapiens Human PF07966 PF00026 6.0 IC50 ChEMBL;BindingDB