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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_63634
http://purl.obolibrary.org/obo/CHEBI_63634
|
|---|---|
| Preferred Name | valdecoxib |
| Synonyms |
valdecoxib
valdecoxibum
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide
C16H14N2O3S
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
Bextra
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | valdecoxib
|
|---|---|
| label | valdecoxib
|
| ATCCode | M01AH03
|
| Definition | A member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke.
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| altId | CHEBI:41662
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| has effect |
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| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey | InChIKey=LNPDTQAFDNKSHK-UHFFFAOYSA-N
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| is metabolised by | |
| Synonym |
valdecoxib
valdecoxibum
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide
C16H14N2O3S
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
Bextra
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|
| xref |
CiteXplore:20717044
BindingDB:13063
PubChem Compound:119607
HMDB:HMDB05033
CiteXplore:21769548
PubChem Substance:46506229
ChEMBL:167010
CASRN:181695-72-7
Drugs.com:http://www.drugs.com/mtm/valdecoxib.html
PharmGKB:PA10226
National Drug Code Directory:0025-1975-31
Reaxys:8563786
RxList:http://www.rxlist.com/cgi/generic/bextra.htm
PDBeChem:COX
PDB:COX
CiteXplore:21073910
DrugBank:DB00580
CiteXplore:20467258
Wikipedia:Valdecoxib
Wikipedia:http://en.wikipedia.org/wiki/Valdecoxib
KEGG DRUG:D02709
CiteXplore:21720517
Drugs Product Database (DPD):2246622
ChemSpider:106796
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| CASRN | 181695-72-7
|
| prefixIRI | obo2:CHEBI_63634
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| SMILES |
Cc1onc(-c2ccccc2)c1-c1ccc(cc1)S(N)(=O)=O
CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O
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| DBname | valdecoxib
|
| InChI | InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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| DBBrand | bextra
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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| No notes to display |