Molecule Details
InChIKeyYCKCGNOTIFRWCX-BLBYSKFESA-N
Compound Name(1R,3S)-3-((S)-1-acetamido-2-methylpropyl)-N-((2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl)cyclohexanecarboxamide
Canonical SMILESCCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H]([C@@H](NC(C)=O)C(C)C)C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.56
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07339 CTSD Homo sapiens Human PF07966 PF00026 6.8 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 6.8 IC50 ChEMBL;BindingDB
P56817 BACE1 Homo sapiens Human PF00026 6.1 IC50 ChEMBL;BindingDB