Molecule Details
| InChIKey | ONIQOQHATWINJY-UHFFFAOYSA-N |
|---|---|
| Compound Name | Cabozantinib |
| Canonical SMILES | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 25 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.43 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08875 |
|---|---|
| Drug Name | Cabozantinib |
| CAS Number | 849217-68-1 |
| Groups | approved investigational |
| ATC Codes | L01EX07 |
| Description | Cabozantinib was first approved in 2012 and is a non-specific tyrosine kinase inhibitor. It was initially approved in the US under the brand name Cometriq, which is indicated for the treatment of metastatic medullary thyroid cancer.[L15123] In 2016, a capsule formulation (Cabometyx) was approved for... |
Categories: Amides Amines Aniline Compounds Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (weak) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Kinase Inhibitor Narrow Therapeutic Index Drugs Protein Kinase Inhibitors Receptor Protein-Tyrosine Kinases, antagonists & inhibitors Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 50021574 ChEBI: 72317 CHEMBL2105717 ChemSpider: 25948202 Drugs Product Database (DPD): 22975 D10062 PubChem:25102847 PubChem:347827806 RxCUI: 1363268 Wikipedia: Cabozantinib ZINC: ZINC000070466416
Target Activities (25)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 10.5 | IC50 | ChEMBL;BindingDB |
| Q9NWH9 | SLTM | Homo sapiens | Human | PF00076 PF02037 | 8.9 | IC50 | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 8.4 | IC50 | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 8.3 | IC50 | ChEMBL;BindingDB |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.2 | IC50 | ChEMBL;BindingDB |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 8.2 | IC50 | ChEMBL;BindingDB |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 8.0 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.0 | IC50 | ChEMBL;BindingDB |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 7.8 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.3 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 7.2 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q16204 | CCDC6 | Homo sapiens | Human | PF09755 | 6.8 | IC50 | ChEMBL |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | IC50 | ChEMBL;BindingDB |
| P33176 | KIF5B | Homo sapiens | Human | PF00225 | 6.7 | IC50 | ChEMBL |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.7 | Kd | ChEMBL |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 6.5 | Kd | ChEMBL |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.3 | Kd | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.1 | Kd | ChEMBL |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 6.1 | Kd | ChEMBL |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL |
DrugBank Target Actions (16)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P07949 | RET | Proto-oncogene tyrosine-protein kinase receptor Ret | inhibitor | targets |
| P08581 | MET | Hepatocyte growth factor receptor | inhibitor | targets |
| P08922 | ROS1 | Proto-oncogene tyrosine-protein kinase ROS | inhibitor | targets |
| P10721 | KIT | Mast/stem cell growth factor receptor Kit | inhibitor | targets |
| P17948 | FLT1 | Vascular endothelial growth factor receptor 1 | inhibitor | targets |
| P30530 | AXL | Tyrosine-protein kinase receptor UFO | inhibitor | targets |
| P35916 | FLT4 | Vascular endothelial growth factor receptor 3 | inhibitor | targets |
| P35968 | KDR | Vascular endothelial growth factor receptor 2 | inhibitor | targets |
| P36888 | FLT3 | Receptor-type tyrosine-protein kinase FLT3 | inhibitor | targets |
| Q02763 | TEK | Angiopoietin-1 receptor | inhibitor | targets |
| Q06418 | TYRO3 | Tyrosine-protein kinase receptor TYRO3 | inhibitor | targets |
| Q12866 | MERTK | Tyrosine-protein kinase Mer | inhibitor | targets |
| Q16620 | NTRK2 | BDNF/NT-3 growth factors receptor | inhibitor | targets |