Synonyms | |
Status | |
Molecule Category | Free-form |
UNII | 0ZM2Z182GD |
EPA CompTox | DTXSID50241486 |
InChI Key | CWHUFRVAEUJCEF-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C18H21F3N6O2 | |
Molecular Weight | 410.4 | |
AlogP | 1.81 | |
Hydrogen Bond Acceptor | 8.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 3.0 | |
Polar Surface Area | 89.63 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 29.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
PI3-kinase class I inhibitor | INHIBITOR | PubMed |
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 |
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Protein: PI3-kinase class I Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform Organism : Homo sapiens P42338 ENSG00000051382 |
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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 |
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Protein: PI3-kinase class I Description: Phosphatidylinositol 3-kinase regulatory subunit gamma Organism : Homo sapiens Q92569 ENSG00000117461 |
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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
|
- | 94-4600 | 19 | 199 | - | ||
Enzyme
Kinase
Protein Kinase
Atypical protein kinase group
Atypical protein kinase PIKK family
|
- | 94-4600 | 1800 | 199 | - | ||
Enzyme
Transferase
|
- | 20-216 | 130 | 20 | 82 | ||
Enzyme
|
- | 20-216 | 130 | 14000 | 82 |
Resources | Reference | |
---|---|---|
ChEBI | 71954 | |
ChEMBL | CHEMBL2017974 | |
DrugBank | DB11666 | |
FDA SRS | 0ZM2Z182GD | |
Guide to Pharmacology | 7878 | |
PDB | SD5 | |
PubChem | 16654980 | |
SureChEMBL | SCHEMBL146956 | |
ZINC | ZINC000043154039 |