Molecule Details
| InChIKey | PEGWVOKOYYAQEV-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-Benzyl-5-(3-Fluoro-4-{[6-Methoxy-7-(3-Morpholin-4-Ylpropoxy)quinolin-4-Yl]oxy}phenyl)-3-Methylpyrimidin-4(3h)-One |
| Canonical SMILES | COc1cc2c(Oc3ccc(-c4cnc(Cc5ccccc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.2 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.1 | IC50 | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.7 | IC50 | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 7.4 | IC50 | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.9 | IC50 | ChEMBL |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.7 | Ki | ChEMBL |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 6.5 | IC50 | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.4 | Ki | ChEMBL;BindingDB |