Molecule Details
InChIKeyVANDNQQVYPKEOC-DLBZAZTESA-N
Compound NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]pyridin-2-yl]-5-bromo-3-chloropyridine-2-carboxamide
Canonical SMILESC[C@@]1(c2cccc(NC(=O)c3ncc(Br)cc3Cl)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.91
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 8.3 IC50 ChEMBL;BindingDB
P56817 BACE1 Homo sapiens Human PF00026 7.9 IC50 ChEMBL;BindingDB
O75874 IDH1 Homo sapiens Human PF00180 7.5 IC50 BindingDB