Molecule Details
InChIKeyMTNHQSSEAULFMW-MHZLTWQESA-N
Compound Name5-[(1R)-3-amino-1-[3-(2-cyclopropylethynyl)phenyl]-4-fluoroisoindol-1-yl]-1-ethyl-3-methylpyridin-2-one
Canonical SMILESCCn1cc([C@]2(c3cccc(C#CC4CC4)c3)N=C(N)c3c(F)cccc32)cc(C)c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.89
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P56817 BACE1 Homo sapiens Human PF00026 8.7 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 7.1 Ki ChEMBL;BindingDB