Drug Details

General Information of the Drug (ID: DR1480)
Name
Parecoxib
Synonyms
Parecoxib; 198470-84-7; Dynastat; SC-69124; SC 69124; CHEBI:73038; UNII-9TUW81Y3CE; N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide; 9TUW81Y3CE; N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide; N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonyl]propanamide; Propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-; Valus-P; Vorth-P; Parocoxib; Propanamide, N-((4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)-; N-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide; parecoxibum; Parecoxib [USAN:INN:BAN]; Valdecoxib Impurity J; Parecoxib (USAN/INN); SCHEMBL9529; GTPL2895; CHEMBL1206690; DTXSID1044229; HMS3741C09; HMS3885L14; AMY42103; BCP07254; EX-A1993; ZINC5761797; BDBM50506744; CP0130; s4656; AKOS025401810; CCG-268299; CS-1959; DB08439; SC69124; NCGC00181773-03; NCGC00181773-05; NCGC00378576-02; Parecoxib 100 microg/mL in Acetonitrile; AC-25842; AS-72353; HY-17474; FT-0697932; Y1120; Parecoxib, VETRANAL(TM), analytical standard; D03716; Q347941; J-523329; BRD-K13800121-236-01-7; N-[4-(5-Methyl-3-phenyl-oxazol-4-yl)phenyl]sulfonylpropanamde; n-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-propanamide; n-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]propanamide; N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide; N-[[4-(5-methyl-3-phenyl-4-isoxazolyl) phenyl] sulfonyl] propanamide; N-?[[4-?(5-?Methyl-?3-?phenyl-?4-?isoxazolyl)?phenyl]?sulfonyl]?propanamide; PXB
    Click to Show/Hide
Molecular Type
Small molecule
Disease Gastrointestinal stromal tumor [ICD-11: 2B5B] Phase 4 [1]
Structure
Click to Download Mol
2D MOL

3D MOL

ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 22 minutes (parecoxib); 8 hours (valdecoxib)
Metabolism
The drug is metabolized via the hepatic
    Click to Show/Hide
    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C19H18N2O4S
PubChem CID
119828
Canonical SMILES
CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C
InChI
1S/C19H18N2O4S/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)
InChIKey
TZRHLKRLEZJVIJ-UHFFFAOYSA-N
CAS Number
CAS 198470-84-7
ChEBI ID
CHEBI:73038
TTD Drug ID
D05UWI
DrugBank ID
DB08439
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Phloroglucinol      Dryopteris arguta     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Experimental
                    Result(s)		 Parecoxib in combination with phloroglucinol for acute renal colic has a faster action, also reduces the demand of rescue analgesics.
Target and Pathway
Target(s) Lactotransferrin (LTF)  Molecule Info  [3]
NetPath Pathway TGF_beta_Receptor Signaling Pathway Click to Show/Hide
2 TCR Signaling Pathway
Reactome ROS production in response to bacteria Click to Show/Hide
2 Amyloid formation
WikiPathways Latent infection of Homo sapiens with Mycobacterium tuberculosis Click to Show/Hide
References
Reference 1 ClinicalTrials.gov (NCT01930318) Effect of COX-2 Selective Inhibitors on Postoperative Insulin Resistance After Gastrointestinal Laparoscopic Surgery
Reference 2 Efficacy and safety of parecoxib/phloroglucinol combination therapy versus parecoxib monotherapy for acute renal colic: a randomized, double-blind clinical trial. Cell Biochem Biophys. 2014 May;69(1):157-61.
Reference 3 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
 Download Picture         KEGG Link