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 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 85 | |
Enzyme
Oxidoreductase
|
- | 160-3900 | - | - | 42-99 | |
Enzyme
|
- | 160-3900 | - | - | 42-99 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 111 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Arthritis, Rheumatoid | 4 | D001172 | ClinicalTrials |
Radiculopathy | 3 | D011843 | ClinicalTrials |
Muscular Diseases | 3 | D009135 | ClinicalTrials |
Osteoarthritis, Knee | 3 | D020370 | ClinicalTrials |
Toothache | 3 | D014098 | ClinicalTrials |
Low Back Pain | 3 | D017116 | ClinicalTrials |
Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
Keratosis, Actinic | 3 | D055623 | ClinicalTrials |
Sunburn | 3 | D013471 | ClinicalTrials |
Anemia | 3 | D000740 | ClinicalTrials |
Sprains and Strains | 3 | D013180 | ClinicalTrials |
Gout | 2 | D006073 | ClinicalTrials |
Otitis Externa | 2 | D010032 | ClinicalTrials |
Chronic Pain | 1 | D059350 | ClinicalTrials |
Inflammation | 1 | D007249 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 4509 |
ChEMBL | CHEMBL1034 |
EPA CompTox | DTXSID3037208 |
FDA SRS | QTG126297Q |
PubChem | 5018304 |
SureChEMBL | SCHEMBL24009 |