Trade Names:
Synonyms:
Status: Approved (1988)
Entry Type: Small molecule
Molecule Category: Salt
UNII: QTG126297Q
Parent Compound: DICLOFENAC

Structure

InChI Key KPHWPUGNDIVLNH-UHFFFAOYSA-M
Smile O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]
InChI
InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1

Physicochemical Descriptors

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

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase inhibitor PubMed PubMed PubMed Wikipedia
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

Metabolites

visNetwork

Indications

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

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
13.83
Injury, poisoning and procedural complications
13.63
Gastrointestinal disorders
9.28
Skin and subcutaneous tissue disorders
7.45
Nervous system disorders
6.73
Musculoskeletal and connective tissue disorders
6.72
Vascular disorders
6.09
Respiratory, thoracic and mediastinal disorders
5.28
Immune system disorders
4.82
Cardiac disorders
4.26
Investigations
3.99
Psychiatric disorders
3.13
Infections and infestations
2.6
Renal and urinary disorders
2.42
Metabolism and nutrition disorders
2.09

Cross References

Resources Reference
ChEBI 4509
ChEMBL CHEMBL1034
EPA CompTox DTXSID3037208
FDA SRS QTG126297Q
PubChem 5018304
SureChEMBL SCHEMBL24009