Molecule Details
| InChIKey | BALLNEJQLSTPIO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Fruquintinib |
| Canonical SMILES | CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.13 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11679 |
|---|---|
| Drug Name | Fruquintinib |
| CAS Number | 1194506-26-7 |
| Groups | approved investigational |
| ATC Codes | L01EK04 |
| Description | Fruquintinib is a novel small-molecule anti-VEGFR that targets VEGFR-1,-2, and -3 to inhibit angiogenesis. Tumor angiogenesis is one of the most critical biological processes for increasing oxygen and nutrient supply to cancer cells, and the VEGF/VEGFR pathway is one of the most critical pathways fo... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Substrates Heterocyclic Compounds, Fused-Ring Protein Kinase Inhibitors Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors
Cross-references: BindingDB: 50637221 CHEMBL4303214 ChemSpider: 39625837 Drugs Product Database (DPD): 24005 PubChem:44480399 PubChem:347828047 RxCUI: 2670179 Wikipedia: Fruquintinib ZINC: ZINC000114898570
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 9.5 | IC50 | ChEMBL |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.5 | IC50 | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.5 | IC50 | ChEMBL |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P17948 | FLT1 | Vascular endothelial growth factor receptor 1 | inhibitor | targets |
| P35916 | FLT4 | Vascular endothelial growth factor receptor 3 | inhibitor | targets |
| P35968 | KDR | Vascular endothelial growth factor receptor 2 | inhibitor | targets |