Molecule Details
InChIKeyDPIDWDAWIQYLLV-ZWKOTPCHSA-N
Compound NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]pyridin-2-yl]-3-chloro-5-cyanopyridine-2-carboxamide
Canonical SMILESC[C@@]1(c2cccc(NC(=O)c3ncc(C#N)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 pChEMBL7.9
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O75874 IDH1 Homo sapiens Human PF00180 8.3 IC50 BindingDB
P56817 BACE1 Homo sapiens Human PF00026 8.0 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 7.4 IC50 ChEMBL;BindingDB