Molecule Details
| InChIKey | AKCDDYGYIGPEKL-JQOQJDEVSA-N |
|---|---|
| Compound Name | 2-((S)-1-((2S,5R)-5-(4-chloro-5-fluoro-2-(trifluoromethyl)phenyl)tetrahydrofuran-2-yl)ethyl)-7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione |
| Canonical SMILES | Cc1cn(-c2ccc3n(c2=O)CCN([C@@H](C)[C@@H]2CC[C@H](c4cc(F)c(Cl)cc4C(F)(F)F)O2)C3=O)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.15 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49810 | PSEN2 | Homo sapiens | Human | PF01080 | 8.2 | IC50 | ChEMBL |
| Q8WW43 | APH1B | Homo sapiens | Human | PF06105 | 8.2 | IC50 | ChEMBL |
| Q92542 | NCSTN | Homo sapiens | Human | PF18266 PF05450 | 8.2 | IC50 | ChEMBL |
| Q96BI3 | APH1A | Homo sapiens | Human | PF06105 | 8.2 | IC50 | ChEMBL |
| Q9NZ42 | PSENEN | Homo sapiens | Human | PF10251 | 8.2 | IC50 | ChEMBL |
| P49768 | PSEN1 | Homo sapiens | Human | PF01080 | 8.1 | IC50 | ChEMBL;BindingDB |