Molecule Details
| InChIKey | ZJLSMLDOCGOURY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-((2-((4-chloro-3-(trifluoromethyl)phenyl)amino)-3H-benzimidazol-5-yl)oxy)-N-methyl-pyridine-2-carboxamide |
| Canonical SMILES | CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]c3c2)ccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.24 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06938 |
|---|---|
| Drug Name | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 17678 CHEMBL394826 ChemSpider: 9342214 PDB: 276 PubChem:11167118 PubChem:99443409 ZINC: ZINC000016052883
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.1 | Ki | ChEMBL;BindingDB |
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 7.1 | IC50 | ChEMBL;BindingDB |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.5 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P35968 | KDR | Vascular endothelial growth factor receptor 2 | binder | targets |