| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1988) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | QTG126297Q |
| Parent Compound: | DICLOFENAC |
| InChI Key | KPHWPUGNDIVLNH-UHFFFAOYSA-M |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H10Cl2NNaO2 |
| Molecular Weight | 318.14 |
| AlogP | 4.36 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 49.33 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Cyclooxygenase inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 220000 | - | 300000 | 85 | |
|
Enzyme
Oxidoreductase
|
- | 160-3900 | - | - | 42-99 | |
|
Enzyme
Transferase
|
- | - | - | - | 27.7 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -43.04--5.7 | |
|
Secreted protein
|
- | 18.51 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 110.58 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 4 | D010146 | ClinicalTrials |
| Keratosis, Actinic | 3 | D055623 | ClinicalTrials |
| Muscular Diseases | 3 | D009135 | ClinicalTrials |
| Osteoarthritis, Knee | 3 | D020370 | ClinicalTrials |
| Sunburn | 3 | D013471 | ClinicalTrials |
| Anemia | 3 | D000740 | ClinicalTrials |
| Toothache | 3 | D014098 | ClinicalTrials |
| Low Back Pain | 3 | D017116 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Radiculopathy | 3 | D011843 | ClinicalTrials |
| Sciatica | 3 | D012585 | ClinicalTrials |
| Sprains and Strains | 3 | D013180 | ClinicalTrials |
| Otitis Externa | 2 | D010032 | ClinicalTrials |
| Chronic Pain | 2 | D059350 | ClinicalTrials |
| Gout | 2 | D006073 | ClinicalTrials |
| Periodontitis | 1 | D010518 | ClinicalTrials |
| Inflammation | 1 | D007249 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEBI | 4509 |
| ChEMBL | CHEMBL1034 |
| EPA CompTox | DTXSID3037208 |
| FDA SRS | QTG126297Q |
| PubChem | 5018304 |
| SureChEMBL | SCHEMBL24009 |