Molecule Details
| InChIKey | ACCFLVVUVBJNGT-AWEZNQCLSA-N |
|---|---|
| Compound Name | Samotolisib |
| Canonical SMILES | CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.43 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12167 |
|---|---|
| Drug Name | LY-3023414 |
| CAS Number | 1386874-06-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | LY3023414 has been used in trials studying the treatment of Neoplasm, Solid Tumor, COLON CANCER, BREAST CANCER, and Advanced Cancer, among others. |
Categories: Heterocyclic Compounds, Fused-Ring Quinolines
Cross-references: CHEMBL4297181 ChemSpider: 35142771 PubChem:57519748 PubChem:347828457 ZINC: ZINC000143116580
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.2 | IC50 | ChEMBL |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 7.6 | IC50 | ChEMBL |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.4 | IC50 | ChEMBL |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.1 | IC50 | ChEMBL |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 6.8 | IC50 | ChEMBL |