Molecule Details
| InChIKey | GNNDEPIMDAZHRQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Altiratinib |
| Canonical SMILES | O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.45 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17191 |
|---|---|
| Drug Name | Altiratinib |
| CAS Number | 1345847-93-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Amides Amines Aniline Compounds Pyridines
Cross-references: BindingDB: 50193395 CHEMBL3545365 ChemSpider: 33427355 PDB: A9I ZINC: ZINC000113198271
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 8.6 | IC50 | ChEMBL;BindingDB |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 8.1 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P35968 | KDR | Vascular endothelial growth factor receptor 2 | antagonist | targets |
| P04629 | NTRK1 | High affinity nerve growth factor receptor | inhibitor | targets |
| P08581 | MET | Hepatocyte growth factor receptor | inhibitor | targets |
| Q02763 | TEK | Angiopoietin-1 receptor | inhibitor | targets |
| Q16288 | NTRK3 | NT-3 growth factor receptor | inhibitor | targets |