Molecule Details
| InChIKey | NHFDRBXTEDBWCZ-ZROIWOOFSA-N |
|---|---|
| Compound Name | Orantinib |
| Canonical SMILES | Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.4 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12072 |
|---|---|
| Drug Name | Orantinib |
| CAS Number | 252916-29-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Orantinib has been used in trials studying the treatment of Lung Cancer, Breast Cancer, Kidney Cancer, Gastric Cancer, and Prostate Cancer, among others. |
Categories: Acids, Acyclic Alkaloids Enzyme Inhibitors Fatty Acids Fatty Acids, Volatile Heterocyclic Compounds, Fused-Ring Indole Alkaloids Indoles Indolizidines Indolizines Lipids Protein Kinase Inhibitors
Cross-references: BindingDB: 4811 CHEMBL274654 ChemSpider: 4486261 PDB: SU6 PubChem:5329099 PubChem:347828381 ZINC: ZINC000003834032
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 9.5 | Kd | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 9.1 | Kd | ChEMBL |
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 7.9 | Kd | ChEMBL |
| Q13873 | BMPR2 | Homo sapiens | Human | PF01064 PF00069 | 7.7 | Kd | ChEMBL |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 6.5 | Kd | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.5 | Kd | ChEMBL |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.4 | pIC50 | TTD_MultiTarget |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.4 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P37231 | PPARG | Peroxisome proliferator-activated receptor gamma | agonist | targets |
| O14965 | AURKA | Aurora kinase A | inhibitor | targets |
| P11362 | FGFR1 | Fibroblast growth factor receptor 1 | inhibitor | targets |
| P35968 | KDR | Vascular endothelial growth factor receptor 2 | inhibitor | targets |
| Q96GD4 | AURKB | Aurora kinase B | inhibitor | targets |