Molecule Details
| InChIKey | QINPEPAQOBZPOF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Pilaralisib |
| Canonical SMILES | COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.38 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11772 |
|---|---|
| Drug Name | Pilaralisib |
| CAS Number | 934526-89-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Pilaralisib is an orally available small molecule that selectively inhibits the activity of phosphoinositide-3 kinase (PI3K). Pilaralisib has been used in trials studying the treatment of Cancer, Lymphoma, Solid Tumors, Glioblastoma, and Breast Cancer, among others. |
Categories: Amides Heterocyclic Compounds, Fused-Ring Phosphatidylinositol 3-Kinases, antagonists & inhibitors Sulfones Sulfur Compounds
Cross-references: BindingDB: 50197062 CHEMBL3360203 ChemSpider: 29340997 PubChem:56599306 PubChem:347828124 ZINC: ZINC000100472223
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.6 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 7.5 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.4 | IC50 | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.9 | IC50 | ChEMBL;BindingDB |