Molecule Details
InChIKeyYLIBYDKWVPKMKX-OCESARCHSA-N
Compound NameN-[(2S,3R)-4-[[6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydrothieno[2,3-b]pyran-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
Canonical SMILESCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Oc2sc(CC(C)(C)C)cc21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.11
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 8.4 IC50 ChEMBL;BindingDB
P07339 CTSD Homo sapiens Human PF07966 PF00026 8.0 Ki ChEMBL;BindingDB
P56817 BACE1 Homo sapiens Human PF00026 7.9 IC50 ChEMBL;BindingDB