Molecule Details
| InChIKey | MVZGYPSXNDCANY-UHFFFAOYSA-N |
|---|---|
| Compound Name | Allitinib |
| Canonical SMILES | C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.74 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB18840 |
|---|---|
| Drug Name | Allitinib |
| CAS Number | 897383-62-9 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Allitinib is under investigation in clinical trial NCT04671303 (To Evaluate the Efficacy and Safety of Anlotinib Combined With Allitinib in Lung Cancer). |
Categories: Acids, Acyclic Acrylates Amides ErbB Receptors, antagonists & inhibitors Heterocyclic Compounds, Fused-Ring
Cross-references: ChEBI: 91467 CHEMBL1947204 ChemSpider: 25027184 ZINC: ZINC000052509434
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 9.1 | IC50 | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.6 | IC50 | ChEMBL |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.5 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00533 | EGFR | Epidermal growth factor receptor | modulator | targets |