Molecule Details
InChIKeyQLMSSDKIDFGJDT-ZWKOTPCHSA-N
Compound Name3-Amino-5-cyano-pyridine-2-carboxylic acid [6-((3R,6R)-5-amino-3,6-dimethyl-6-trifluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-pyridin-2-yl]-amide
Canonical SMILESC[C@@]1(c2cccc(NC(=O)c3ncc(C#N)cc3N)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 pChEMBL7.26
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 7.4 IC50 ChEMBL;BindingDB
O75874 IDH1 Homo sapiens Human PF00180 7.3 IC50 BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 7.1 IC50 ChEMBL;BindingDB