Molecule Details
| InChIKey | RGHYDLZMTYDBDT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Voxtalisib |
| Canonical SMILES | CCn1c(=O)c(-c2cc[nH]n2)cc2c(C)nc(N)nc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.32 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12400 |
|---|---|
| Drug Name | Voxtalisib |
| CAS Number | 934493-76-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Voxtalisib has been used in trials studying the treatment of Cancer, Melanoma, Lymphoma, Glioblastoma, and Breast Cancer, among others. |
Categories: Amides Heterocyclic Compounds, Fused-Ring Phosphatidylinositol 3-Kinases, antagonists & inhibitors Sulfones Sulfur Compounds
Cross-references: ChEBI: 124914 CHEMBL3545366 ChemSpider: 17279963 PubChem:16123056 PubChem:347828646 ZINC: ZINC000035308805
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 8.1 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.4 | IC50 | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.4 | IC50 | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.0 | IC50 | ChEMBL;BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 6.8 | IC50 | ChEMBL;BindingDB |