Molecule Details
InChIKeyRPVSVZJNXFHPNA-ZWKOTPCHSA-N
Compound NameN-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-3-chloro-5-cyanopyridine-2-carboxamide
Canonical SMILESC[C@@]1(c2cc(NC(=O)c3ncc(C#N)cc3Cl)ncc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.86
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 6.9 IC50 ChEMBL;BindingDB
O75874 IDH1 Homo sapiens Human PF00180 6.8 IC50 BindingDB
P56817 BACE1 Homo sapiens Human PF00026 6.8 IC50 ChEMBL;BindingDB