| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | M01AG01 |
| UNII | 367589PJ2C |
| EPA CompTox | DTXSID5023243 |
| InChI Key | HYYBABOKPJLUIN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H15NO2 |
| Molecular Weight | 241.29 |
| AlogP | 3.75 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 49.33 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 980 | - | 220-810 | - | |
|
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4B
|
- | - | - | - | 38.91 | |
|
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4D
|
- | - | - | - | 35.54 | |
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 41 | |
|
Enzyme
|
- | 560 | - | 220-810 | 35.54 | |
|
Secreted protein
|
- | - | - | - | 93 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 63.23-72.63 |
|
Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 1 Organism : Homo sapiens P23219 ENSG00000095303 |
||||
|
Protein: Cyclooxygenase Description: Prostaglandin G/H synthase 2 Organism : Homo sapiens P35354 ENSG00000073756 |
||||
| Resources | Reference |
|---|---|
| ChEBI | 6717 |
| ChEMBL | CHEMBL686 |
| DrugBank | DB00784 |
| DrugCentral | 1663 |
| FDA SRS | 367589PJ2C |
| Human Metabolome Database | HMDB0014922 |
| Guide to Pharmacology | 2593 |
| KEGG | C02168 |
| PDB | ID8 |
| PharmGKB | PA450347 |
| PubChem | 4044 |
| SureChEMBL | SCHEMBL3544 |
| ZINC | ZINC000000020241 |