PARECOXIB SODIUM

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Salt
UNII: EB87433V6F
Parent Compound: PARECOXIB

Structure
InChI Key HQPVVKXJNZEAFW-UHFFFAOYSA-M
Smile CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.[Na+]
InChI
InChI=1S/C19H18N2O4S.Na/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15;/h4-12H,3H2,1-2H3,(H,21,22);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17N2NaO4S
Molecular Weight 392.41
AlogP 3.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 89.27
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclooxygenase-2 inhibitor PubChem PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 33

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 3 D010003 ClinicalTrials
Pain 3 D010146 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL296913
EPA CompTox DTXSID6048670
FDA SRS EB87433V6F
PubChem 15895902
SureChEMBL SCHEMBL117192
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