DICLOFENAC SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII QTG126297Q
EPA CompTox DTXSID3037208
Parent Compound: DICLOFENAC

Structure

InChI Key KPHWPUGNDIVLNH-UHFFFAOYSA-M
Smiles 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

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 85
Enzyme Oxidoreductase
- 3-840 - - 16-99
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 71.01-110.58
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Capra hircus
- - - - 85
Cricetulus griseus
- - - - 71.01-110.58
Homo sapiens
- 3-840 - - 16-99
Mus musculus
- - - - 8.2-97.6
Ovis aries
- 160-250 - - -
Rattus norvegicus
- - - - 16.67-205.3

Target Conservation

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

Cross References

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