Synonyms | |
Status | |
Molecule Category | UNKNOWN |
ATC | M01AE10 |
UNII | CPE46ZU14N |
EPA CompTox | DTXSID5045831 |
InChI Key | RJMIEHBSYVWVIN-UHFFFAOYSA-N |
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Smiles | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H15NO3 |
Molecular Weight | 281.31 |
AlogP | 3.04 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 57.61 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 21.0 |
Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 1 Organism : Homo sapiens P23219 ENSG00000095303 |
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Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 2 Organism : Homo sapiens P35354 ENSG00000073756 |
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Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Auxiliary transport protein
Fatty acid binding protein family
|
- | - | - | 1270 | - | |
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Chemokine receptor
CXC chemokine receptor
|
- | - | - | - | 56 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 96 |
Resources | Reference |
---|---|
ChEBI | 76162 |
ChEMBL | CHEMBL15870 |
DrugBank | DB08951 |
DrugCentral | 1442 |
FDA SRS | CPE46ZU14N |
PubChem | 3718 |
SureChEMBL | SCHEMBL25137 |