Molecule Details
InChIKeyITDPHYUDGLCWQU-VAHXTSCQSA-N
Compound Name(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1,3-oxazol-2-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
Canonical SMILESNC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncco3)C[C@H]2CS1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.33
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P10635 CYP2D6 Homo sapiens Human PF00067 6.5 IC50 ChEMBL;BindingDB
P56817 BACE1 Homo sapiens Human PF00026 6.3 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 6.2 IC50 ChEMBL;BindingDB