Molecule Details
| InChIKey | LPOUMFNXXSGLCK-FIBWVYCGSA-N |
|---|---|
| Compound Name | (3S,6R)-1-benzyl-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-6-phenylazepan-2-one |
| Canonical SMILES | COc1cc(-c2cn([C@H]3CC[C@H](c4ccccc4)CN(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.7 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49768 | PSEN1 | Homo sapiens | Human | PF01080 | 6.7 | IC50 | ChEMBL |
| P49810 | PSEN2 | Homo sapiens | Human | PF01080 | 6.7 | IC50 | ChEMBL |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q8WW43 | APH1B | Homo sapiens | Human | PF06105 | 6.7 | IC50 | ChEMBL |
| Q92542 | NCSTN | Homo sapiens | Human | PF18266 PF05450 | 6.7 | IC50 | ChEMBL |
| Q96BI3 | APH1A | Homo sapiens | Human | PF06105 | 6.7 | IC50 | ChEMBL |
| Q9NZ42 | PSENEN | Homo sapiens | Human | PF10251 | 6.7 | IC50 | ChEMBL |