Molecule Details
InChIKeyHONUCNWSWWNZSP-RBUKOAKNSA-N
Compound NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]pyridin-2-yl]-5-cyano-3-methylpyridine-2-carboxamide
Canonical SMILESCc1cc(C#N)cnc1C(=O)Nc1cccc([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.07
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P56817 BACE1 Homo sapiens Human PF00026 8.3 IC50 ChEMBL;BindingDB
O75874 IDH1 Homo sapiens Human PF00180 8.2 IC50 BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 7.7 IC50 ChEMBL;BindingDB