Molecule Details
| InChIKey | XUMALORDVCFWKV-IBGZPJMESA-N |
|---|---|
| Compound Name | Eganelisib |
| Canonical SMILES | C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.81 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16296 |
|---|---|
| Drug Name | IPI-549 |
| CAS Number | 1693758-51-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | IPI-549 is under investigation in clinical trial NCT03795610 (Window of Opportunity Study of IPI-549 in Patients With Locally Advanced HPV+ and HPV- Head and Neck Squamous Cell Carcinoma). |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: CHEMBL3984425 ChemSpider: 60600433 PDB: V7Y Wikipedia: Eganelisib ZINC: ZINC000584906867
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 9.5 | IC50 | ChEMBL;BindingDB |
| O75747 | PIK3C2G | Homo sapiens | Human | PF00168 PF00454 PF00792 PF00794 PF00613 PF00787 | 9.0 | IC50 | BindingDB |
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 7.6 | Kd | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.4 | IC50 | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.2 | IC50 | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.1 | IC50 | ChEMBL;BindingDB |
| O00750 | PIK3C2B | Homo sapiens | Human | PF00168 PF00454 PF00792 PF00794 PF00613 PF00787 | 6.8 | IC50 | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P48736 | PIK3CG | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | inhibitor | targets |