Molecule Details
| InChIKey | NFHSJYKXENYICE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Msc-2360844 |
| Canonical SMILES | O=C(c1nn(-c2ccc(CN3CCOCC3)cc2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.51 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB18088 |
|---|---|
| Drug Name | Roginolisib |
| CAS Number | 1305267-37-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 169989 CHEMBL3683575 ChemSpider: 58926974 ZINC: ZINC000112941647
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.8 | IC50 | ChEMBL;BindingDB |
| O00459 | PIK3R2 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 6.5 | IC50 | ChEMBL |
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 6.5 | IC50 | ChEMBL |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.5 | IC50 | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.5 | IC50 | ChEMBL |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 6.5 | IC50 | ChEMBL |
| Q8WYR1 | PIK3R5 | Homo sapiens | Human | PF10486 | 6.5 | IC50 | ChEMBL |
| Q92569 | PIK3R3 | Homo sapiens | Human | PF16454 PF00017 | 6.5 | IC50 | ChEMBL |