Molecule Details
InChIKeyHUCKKBDXVQDXSC-DFCNTKNDSA-N
Compound NameN-[(2S,3R)-3-hydroxy-4-(6-methylheptan-2-ylamino)-1-phenylbutan-2-yl]-3-(N-methylsulfonylanilino)benzamide
Canonical SMILESCC(C)CCCC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N(c2ccccc2)S(C)(=O)=O)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.76
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 7.5 IC50 ChEMBL;BindingDB
P07339 CTSD Homo sapiens Human PF07966 PF00026 6.7 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 6.1 IC50 ChEMBL;BindingDB