| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | L08J2O299M |
| EPA CompTox | DTXSID00155842 |
| InChI Key | BEUQXVWXFDOSAQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C24H28N8O2 |
| Molecular Weight | 460.54 |
| AlogP | 3.17 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 118.67 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 34.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | 4-374 | - | 0.12-9.1 | 69.9-98.6 |
|
Protein: PI3-kinase class I Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Organism : Homo sapiens O00329 ENSG00000171608 |
||||
|
Protein: PI3-kinase class I Description: Phosphatidylinositol 3-kinase regulatory subunit beta Organism : Homo sapiens O00459 ENSG00000105647 |
||||
|
Protein: PI3-kinase class I Description: Phosphatidylinositol 3-kinase regulatory subunit alpha Organism : Homo sapiens P27986 ENSG00000145675 |
||||
|
Protein: PI3-kinase class I Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Organism : Homo sapiens P42336 ENSG00000121879 |
||||
|
Protein: PI3-kinase class I Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform Organism : Homo sapiens P42338 ENSG00000051382 |
||||
|
Protein: PI3-kinase class I Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Organism : Homo sapiens P48736 ENSG00000105851 |
||||
|
Protein: PI3-kinase class I Description: Phosphoinositide 3-kinase regulatory subunit 5 Organism : Homo sapiens Q8WYR1 ENSG00000141506 |
||||
|
Protein: PI3-kinase class I Description: Phosphatidylinositol 3-kinase regulatory subunit gamma Organism : Homo sapiens Q92569 ENSG00000117461 |
||||
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2387080 |
| DrugBank | DB12108 |
| FDA SRS | L08J2O299M |
| Guide to Pharmacology | 7794 |
| PDB | 799 |
| PharmGKB | PA166163227 |
| PubChem | 51001932 |
| SureChEMBL | SCHEMBL1485247 |
| ZINC | ZINC000068267049 |