Molecule Details
InChIKeyWPEFUXWXSZSMFS-NAYUSWPISA-N
Compound Name3-ethyl-N-[(2S)-1-[[(2S,3S)-3-hydroxy-1-(2-methylpropylamino)-1-oxohexan-2-yl]amino]-3-phenylpropan-2-yl]-9,11,11-trimethyl-10,10-dioxo-10lambda6-thia-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-6-carboxamide
Canonical SMILESCCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2c3c(c1)c(CC)cn3CC(C)(C)S(=O)(=O)N2C)C(=O)NCC(C)C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.79
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 9.1 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 8.0 Ki ChEMBL;BindingDB
P07339 CTSD Homo sapiens Human PF07966 PF00026 6.3 Ki ChEMBL;BindingDB