Molecule Details
| InChIKey | MEQSMKIFBMBPQX-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamoyl)-1H-pyrazol-5-ylamino)methyl)pyridin-2-yl)urea |
| Canonical SMILES | CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)C(F)(F)O4)cnn2C)cn1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.33 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 7.9 | IC50 | ChEMBL;BindingDB |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 7.6 | pIC50 | TTD_MultiTarget |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 7.4 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.4 | IC50 | ChEMBL;BindingDB |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | Clinical | TTD_MultiTarget | TTD_MultiTarget |