Molecule Details
| InChIKey | BEMNJULZEQTDJY-UHFFFAOYSA-N |
|---|---|
| Compound Name | Zoligratinib |
| Canonical SMILES | Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)cc2[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.43 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12903 |
|---|---|
| Drug Name | Zoligratinib |
| CAS Number | 1265229-25-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ch5183284 has been used in trials studying the treatment of Solid Tumours. |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50197683 CHEMBL3907479 ChemSpider: 34450878 PDB: LWJ PubChem:66555680 PubChem:347829055 ZINC: ZINC000098209140
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15197 | EPHB6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 8.2 | Kd | ChEMBL |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 8.1 | IC50 | ChEMBL;BindingDB |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 8.0 | IC50 | ChEMBL;BindingDB |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 7.8 | Kd | ChEMBL |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.1 | IC50 | ChEMBL |
| P22455 | FGFR4 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 6.5 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.1 | Kd | ChEMBL |