Molecule Details
| InChIKey | RWHKUOWZHDGYHC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-(3,3-Dimethylbutyl)-3-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]urea |
| Canonical SMILES | CCn1c(=O)c(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)cc2cnc(NC)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 8.3 | IC50 | ChEMBL;BindingDB |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 8.0 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.6 | IC50 | ChEMBL;BindingDB |
| P01116 | KRAS | Homo sapiens | Human | PF00071 | 6.9 | IC50 | ChEMBL |