| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | 1X8F5A3NA0 |
| EPA CompTox | DTXSID10148604 |
| InChI Key | CGBJSGAELGCMKE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C25H17F2N5O3S |
| Molecular Weight | 505.51 |
| AlogP | 4.84 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 106.96 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 36.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Kinase
Protein Kinase
Atypical protein kinase group
Atypical protein kinase PIKK family
Atypical protein kinase FRAP subfamily
|
- | 0.18-1.25 | - | 0.18 | - | |
|
Enzyme
Transferase
|
- | 0.019-2.5 | - | 0.06-0.53 | - | |
|
Enzyme
|
- | 0.019-2.5 | - | 0.06-0.53 | - | |
|
Unclassified protein
|
- | - | - | 0.18 | - |
|
Protein: PI3-kinase class I Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Organism : Homo sapiens O00329 ENSG00000171608 |
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|
Protein: PI3-kinase class I Description: Phosphatidylinositol 3-kinase regulatory subunit beta Organism : Homo sapiens O00459 ENSG00000105647 |
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|
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 |
|---|---|
| ChEBI | 95093 |
| ChEMBL | CHEMBL1236962 |
| DrugBank | DB12703 |
| FDA SRS | 1X8F5A3NA0 |
| Guide to Pharmacology | 8974 |
| PDB | ZIG |
| PubChem | 25167777 |
| SureChEMBL | SCHEMBL623194 |
| ZINC | ZINC000043208634 |