Molecule Details
| InChIKey | XXUKTXRJOFQHLP-ZWKOTPCHSA-N |
|---|---|
| Compound Name | N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-bromopyridine-2-carboxamide |
| Canonical SMILES | C[C@@]1(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y5Z0 | BACE2 | Homo sapiens | Human | PF00026 | 8.5 | IC50 | ChEMBL;BindingDB |
| P56817 | BACE1 | Homo sapiens | Human | PF00026 | 8.0 | IC50 | ChEMBL;BindingDB |
| P05067 | APP | Homo sapiens | Human | PF10515 PF12924 PF12925 PF02177 PF03494 PF00014 | 7.7 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |