Molecule Details
| InChIKey | OBSFXHDOLBYWRJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide |
| Canonical SMILES | O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.63 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06896 |
|---|---|
| Drug Name | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 24440 CHEMBL509101 ChemSpider: 19889726 PDB: 1FN PubChem:21081761 PubChem:99443367 ZINC: ZINC000020148998
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 8.7 | pIC50 | TTD_MultiTarget |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.4 | IC50 | ChEMBL |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.4 | pIC50 | TTD_MultiTarget |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.4 | IC50 | ChEMBL |
| Q9Y572 | RIPK3 | Homo sapiens | Human | PF00069 PF12721 | 6.7 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | IC50 | ChEMBL |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.2 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08581 | MET | Hepatocyte growth factor receptor | binder | targets |