Molecule Details
| InChIKey | IGUBBWJDMLCRIK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Vs-4718 |
| Canonical SMILES | CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C(F)(F)F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.51 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15273 |
|---|---|
| Drug Name | VS-4718 |
| CAS Number | 1061353-68-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | VS-4718 is under investigation in clinical trial NCT02215629 (Dose Escalation Study in Acute Myeloid or B-Cell Acute Lymphoblastic Leukemia). |
Categories: Amines Focal Adhesion Protein-Tyrosine Kinases, antagonists & inhibitors Pyridines
Cross-references: BindingDB: 50440659 CHEMBL3040440 ChemSpider: 30841484 ZINC: ZINC000043207772
Target Activities (3)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q05397 | PTK2 | Focal adhesion kinase 1 | inhibitor | targets |