Molecule Details
InChIKeyHMMWZIDNPYYZHM-KRWDZBQOSA-N
Compound NameN-[3-[(2S)-6-amino-5,5-difluoro-2-methyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
Canonical SMILESC[C@@]1(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)CCC(F)(F)C(N)=N1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.92
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 7.9 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 6.9 IC50 ChEMBL;BindingDB
P10635 CYP2D6 Homo sapiens Human PF00067 6.0 IC50 ChEMBL;BindingDB