Molecule Details
InChIKeyLVGZIFOZGQDLRO-BHSUFKTOSA-N
Compound Name(1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(N-methylpropionamido)propan-2-yl)cyclohexanecarboxamide
Canonical SMILESCCC(=O)N(C)C(C)(C)[C@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CNCc2cccc(C(C)C)c2)C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.53
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 6.7 IC50 ChEMBL;BindingDB
P56817 BACE1 Homo sapiens Human PF00026 6.5 IC50 ChEMBL;BindingDB
P07339 CTSD Homo sapiens Human PF07966 PF00026 6.4 IC50 ChEMBL;BindingDB