Molecule Details
| InChIKey | LGWACEZVCMBSKW-UHFFFAOYSA-N |
|---|---|
| Compound Name | Paxalisib |
| Canonical SMILES | CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15186 |
|---|---|
| Drug Name | Paxalisib |
| CAS Number | 1382979-44-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | GDC-0084 is under investigation in clinical trial NCT03696355 (Study of GDC-0084 in Pediatric Patients With Newly Diagnosed Diffuse Intrinsic Pontine Glioma or Diffuse Midline Gliomas). |
Categories: Enzyme Inhibitors
Cross-references: BindingDB: 50177662 CHEMBL3813842 ChemSpider: 57251291 ZINC: ZINC000149645112
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.7 | Ki | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.5 | IC50 | ChEMBL |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 8.0 | IC50 | ChEMBL |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.3 | IC50 | ChEMBL |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 7.2 | Ki | ChEMBL;BindingDB |
| Q8N122 | RPTOR | Homo sapiens | Human | PF02985 PF14538 PF00400 | 7.2 | Ki | ChEMBL |
| Q9BVC4 | MLST8 | Homo sapiens | Human | PF00400 | 7.2 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P48736 | PIK3CG | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | inhibitor | targets |