| Synonyms: | |
| Status: | Approved (1979) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M01AE10 |
| UNII: | CPE46ZU14N |
| InChI Key | RJMIEHBSYVWVIN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| 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 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Cyclooxygenase inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Auxiliary transport protein
Fatty acid binding protein family
|
- | - | - | 1270-161000 | - | |
|
Enzyme
Hydrolase
|
- | - | - | - | 6.947 | |
|
Enzyme
Transferase
|
- | - | - | - | 12.29-27.36 | |
|
Enzyme
|
- | 20000-21000 | - | - | 12.29-27.36 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | 512.7 | - | - | 82.14-99.73 | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Chemokine receptor
CXC chemokine receptor
|
- | - | - | - | 56 | |
|
Other cytosolic protein
|
1518 | - | - | - | - | |
|
Transcription factor
|
1518 | - | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 96.18 |
| Resources | Reference |
|---|---|
| ChEBI | 76162 |
| ChEMBL | CHEMBL15870 |
| DrugBank | DB08951 |
| DrugCentral | 1442 |
| EPA CompTox | DTXSID5045831 |
| FDA SRS | CPE46ZU14N |
| PubChem | 3718 |
| SureChEMBL | SCHEMBL25137 |