Molecule Details
| InChIKey | GYLDXIAOMVERTK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Sapanisertib |
| Canonical SMILES | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.23 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11836 |
|---|---|
| Drug Name | Sapanisertib |
| CAS Number | 1224844-38-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Sapanisertib has been used in trials studying the treatment of HCC, Solid Tumor, Gliosarcoma, Liver Cancer, and Glioblastoma, among others. |
Categories: Heterocyclic Compounds, Fused-Ring Purines
Cross-references: BindingDB: 315477 ChEBI: 91450 CHEMBL3545097 ChemSpider: 28189069 PDB: FE5 PubChem:45375953 PubChem:347828181 RxCUI: 2395271 Wikipedia: Sapanisertib ZINC: ZINC000073069271
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8N122 | RPTOR | Homo sapiens | Human | PF02985 PF14538 PF00400 | 9.0 | IC50 | ChEMBL |
| Q9BVC4 | MLST8 | Homo sapiens | Human | PF00400 | 9.0 | IC50 | ChEMBL;BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 8.8 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 8.4 | Kd | ChEMBL;BindingDB |
| Q6R327 | RICTOR | Homo sapiens | Human | PF14663 PF14666 PF14664 PF14665 PF14668 | 8.3 | IC50 | ChEMBL |
| Q9BPZ7 | MAPKAP1 | Homo sapiens | Human | PF16978 PF25322 PF05422 PF16979 | 8.3 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.5 | Ki | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.5 | Kd | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.1 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P42345 | MTOR | Serine/threonine-protein kinase mTOR | inhibitor | targets |