Molecule Details
| InChIKey | SDEAXTCZPQIFQM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tucatinib |
| Canonical SMILES | Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11652 |
|---|---|
| Drug Name | Tucatinib |
| CAS Number | 937263-43-9 |
| Groups | approved investigational |
| ATC Codes | L01EH03 |
| Description | Tucatinib is a kinase inhibitor drug used with [trastuzumab] and [capecitabine] in the treatment of unresectable or metastatic HER-2 positive breast cancer. It was developed by Seattle Genetics and approved by the FDA on April 17, 2020.[L12951] Tucatinib is a promising new treatment for patients wit... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Substrates Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors Kinase Inhibitor MATE 1 Inhibitors MATE 2 Inhibitors MATE inhibitors OCT2 Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Protein Kinase Inhibitors Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 471617 CHEMBL3989868 ChemSpider: 34995558 Drugs Product Database (DPD): 23469 PDB: A1AAC PubChem:51039094 PubChem:347828023 RxCUI: 2361285 Wikipedia: Tucatinib ZINC: ZINC000068250462
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q7Z406 | MYH14 | Homo sapiens | Human | PF00063 PF02736 PF01576 | 6.7 | Kd | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.3 | IC50 | ChEMBL |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04626 | ERBB2 | Receptor tyrosine-protein kinase erbB-2 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A Subfamily | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P04626 | ERBB2 | Receptor tyrosine-protein kinase erbB-2 | inhibitor | targets |
| P21860 | ERBB3 | Receptor tyrosine-protein kinase erbB-3 | inhibitor | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |
| Q86VL8 | SLC47A2 | Multidrug and toxin extrusion protein 2 | inhibitor | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |