Molecule Details
| InChIKey | QYBGBLQCOOISAR-UHFFFAOYSA-N |
|---|---|
| Compound Name | Vs-5584 |
| Canonical SMILES | Cc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.74 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12986 |
|---|---|
| Drug Name | VS-5584 |
| CAS Number | 1246560-33-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | VS-5584 has been used in trials studying the treatment of Lymphoma, Metastatic Cancer, and Non Hematologic Cancers. |
Categories: Heterocyclic Compounds, Fused-Ring Oxazines
Cross-references: BindingDB: 50059635 CHEMBL3393066 ChemSpider: 30922943 PubChem:46912230 PubChem:347829125 ZINC: ZINC000095644685
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.6 | IC50 | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.2 | IC50 | ChEMBL |
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 8.1 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.8 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 7.6 | IC50 | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.4 | IC50 | ChEMBL;BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 7.4 | IC50 | ChEMBL |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.2 | IC50 | ChEMBL |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.2 | IC50 | ChEMBL;BindingDB |