Molecule Details
| InChIKey | DWYRIWUZIJHQKQ-SANMLTNESA-N |
|---|---|
| Compound Name | Avapritinib |
| Canonical SMILES | Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.07 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15233 |
|---|---|
| Drug Name | Avapritinib |
| CAS Number | 1703793-34-3 |
| Groups | approved investigational |
| ATC Codes | L01EX18 |
| Description | Avapritinib, or BLU-285,[A189327] is a selective tyrosine kinase inhibitor of KIT and platelet derived growth factor receptor alpha indicated for the treatment of unresectable, metastatic gastrointestinal stromal tumors and advanced systemic mastocytosis.[A189339,L40363] It is one of the first medic... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors BSEP/ABCB11 Inhibitors Bile Salt Export Pump Inhibitors Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Kinase Inhibitor MATE 1 Inhibitors MATE 2 Inhibitors MATE 2-K Inhibitors MATE inhibitors P-glycoprotein inhibitors Protein Kinase Inhibitors Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 469269 CHEMBL4204794 ChemSpider: 58828673 Drugs Product Database (DPD): 24009 PDB: 9JI RxCUI: 2272107 Wikipedia: Avapritinib
Target Activities (3)
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P10721 | KIT | Mast/stem cell growth factor receptor Kit | inhibitor | targets |
| P16234 | PDGFRA | Platelet-derived growth factor receptor alpha | inhibitor | targets |
| O95342 | ABCB11 | Bile salt export pump | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q86VL8 | SLC47A2 | Multidrug and toxin extrusion protein 2 | inhibitor | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | modulator | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | modulator | transporters |