| InChI Key | XDLYKKIQACFMJG-WKILWMFISA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H27N5O4 |
| Molecular Weight | 425.49 |
| AlogP | 2.25 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 125.38 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 31.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
AGC protein kinase group
AGC protein kinase AKT family
|
- | 13 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
Atypical protein kinase group
Atypical protein kinase PIKK family
Atypical protein kinase FRAP subfamily
|
- | 7.9-7.9 | - | 16-16 | - | |
|
Enzyme
Transferase
|
- | 3.3-8.33 | - | 0.57-0.57 | - |
|
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: Serine/threonine-protein kinase mTOR Description: Serine/threonine-protein kinase mTOR Organism : Homo sapiens P42345 ENSG00000198793 |
||||
|
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 | CHEMBL1234354 |
| DrugBank | DB11974 |
| FDA SRS | 4W39NS61KI |
| Guide to Pharmacology | 7936 |
| PDB | ML9 |
| PubChem | 25033539 |
| SureChEMBL | SCHEMBL1381425 |
| ZINC | ZINC000117704832 |