Molecule Details
| InChIKey | BEUQXVWXFDOSAQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Taselisib |
| Canonical SMILES | Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.13 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12108 |
|---|---|
| Drug Name | Taselisib |
| CAS Number | 1282512-48-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Taselisib has been used in trials studying the treatment and basic science of LYMPHOMA, Breast Cancer, Ovarian Cancer, Solid Neoplasm, and HER2/Neu Negative, among others. |
Categories: Antineoplastic Agents Azepines Phosphatidylinositol 3-Kinases, antagonists & inhibitors
Cross-references: BindingDB: 50434806 CHEMBL2387080 ChemSpider: 29315044 PDB: 799 PharmGKB: PA166163227 PubChem:51001932 PubChem:347828409 Wikipedia: Taselisib ZINC: ZINC000068267049
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 9.5 | Ki | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 9.4 | Ki | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 9.0 | Ki | ChEMBL;BindingDB |
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 8.8 | Ki | BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.0 | Ki | ChEMBL;BindingDB |
| O00459 | PIK3R2 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 7.3 | Ki | ChEMBL;BindingDB |
| O00750 | PIK3C2B | Homo sapiens | Human | PF00168 PF00454 PF00792 PF00794 PF00613 PF00787 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q8NEB9 | PIK3C3 | Homo sapiens | Human | PF00454 PF00792 PF00613 | 6.4 | IC50 | ChEMBL;BindingDB |