Molecule Details
| InChIKey | LGACBXRBHHAKSE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-[(4-Methoxyphenyl)methyl]-12-(2-methyl-4-pyridinyl)-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-one |
| Canonical SMILES | COc1ccc(Cc2nc3c(o2)CCc2cc(-c4ccnc(C)c4)ccc2C3=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.52 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.5 | IC50 | ChEMBL;BindingDB |
| P49768 | PSEN1 | Homo sapiens | Human | PF01080 | 6.5 | IC50 | ChEMBL;BindingDB |
| P49810 | PSEN2 | Homo sapiens | Human | PF01080 | 6.5 | IC50 | ChEMBL |
| Q8WW43 | APH1B | Homo sapiens | Human | PF06105 | 6.5 | IC50 | ChEMBL |
| Q92542 | NCSTN | Homo sapiens | Human | PF18266 PF05450 | 6.5 | IC50 | ChEMBL |
| Q96BI3 | APH1A | Homo sapiens | Human | PF06105 | 6.5 | IC50 | ChEMBL |
| Q9NZ42 | PSENEN | Homo sapiens | Human | PF10251 | 6.5 | IC50 | ChEMBL |