Molecule Details
| InChIKey | VAFUDQUXHDFJQT-RBUKOAKNSA-N |
|---|---|
| Compound Name | N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-cyano-3-methylpyridine-2-carboxamide |
| Canonical SMILES | Cc1cc(C#N)cnc1C(=O)Nc1cc([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)c(F)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.12 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y5Z0 | BACE2 | Homo sapiens | Human | PF00026 | 7.3 | IC50 | ChEMBL;BindingDB |
| O75874 | IDH1 | Homo sapiens | Human | PF00180 | 7.1 | IC50 | BindingDB |
| P56817 | BACE1 | Homo sapiens | Human | PF00026 | 7.1 | IC50 | ChEMBL;BindingDB |
| P05067 | APP | Homo sapiens | Human | PF10515 PF12924 PF12925 PF02177 PF03494 PF00014 | 7.0 | IC50 | ChEMBL;BindingDB |