Molecule Details
| InChIKey | WUWDLXZGHZSWQZ-WQLSENKSSA-N |
|---|---|
| Compound Name | Semaxanib |
| Canonical SMILES | Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.9 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06436 |
|---|---|
| Drug Name | Semaxanib |
| CAS Number | 194413-58-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Angiogenesis Inhibitors Angiogenesis Modulating Agents Antineoplastic Agents Enzyme Inhibitors Growth Inhibitors Growth Substances Heterocyclic Compounds, Fused-Ring Protein Kinase Inhibitors
Cross-references: BindingDB: 4810 ChEBI: 91083 CHEMBL276711 ChemSpider: 4486260 PDB: X2M PubChem:5329098 PubChem:347827770 Wikipedia: Semaxanib ZINC: ZINC000012410091
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 7.8 | pIC50 | TTD_MultiTarget |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.4 | IC50 | ChEMBL;BindingDB |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 7.1 | IC50 | ChEMBL;BindingDB |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.8 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.8 | pIC50 | TTD_MultiTarget |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.8 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.8 | IC50 | ChEMBL;BindingDB |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 6.7 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.7 | IC50 | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.4 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inducer | enzymes |
| P07949 | RET | Proto-oncogene tyrosine-protein kinase receptor Ret | inhibitor | targets |
| P09619 | PDGFRB | Platelet-derived growth factor receptor beta | inhibitor | targets |
| P10721 | KIT | Mast/stem cell growth factor receptor Kit | inhibitor | targets |
| P11362 | FGFR1 | Fibroblast growth factor receptor 1 | inhibitor | targets |
| P16234 | PDGFRA | Platelet-derived growth factor receptor alpha | inhibitor | targets |
| P17948 | FLT1 | Vascular endothelial growth factor receptor 1 | inhibitor | targets |
| P35968 | KDR | Vascular endothelial growth factor receptor 2 | inhibitor | targets |
| P35869 | AHR | Aryl hydrocarbon receptor | modulator | targets |
| P40238 | P40238 | Thrombopoietin receptor | modulator | targets |