Molecule Details
| InChIKey | UWXSAYUXVSFDBQ-CYBMUJFWSA-N |
|---|---|
| Compound Name | Varlitinib |
| Canonical SMILES | C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.48 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05944 |
|---|---|
| Drug Name | Varlitinib |
| CAS Number | 845272-21-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Varlitinib is an oral, selective, reversible, small molecule tyrosine kinase inhibitor of both ErbB-2 (Her-2/neu) and EGFR. Over-expression of ErbB-2 and EGFR receptors in tumors is predictive of poor prognosis in cancer patients. Varlitinib has shown significant anti-tumor activity in preclinical m... |
Categories: Heterocyclic Compounds, Fused-Ring Sulfur Compounds
Cross-references: BindingDB: 50205268 CHEMBL2103842 ChemSpider: 25027380 PubChem:42642648 PubChem:347827751 ZINC: ZINC000013980035
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.4 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q9Y572 | RIPK3 | Homo sapiens | Human | PF00069 PF12721 | 7.1 | Kd | ChEMBL |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 6.1 | Kd | ChEMBL |