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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_41423
http://purl.obolibrary.org/obo/CHEBI_41423
|
|---|---|
| Preferred Name | celecoxib |
| Synonyms |
Celecoxib
celecoxib
p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide
C17H14F3N3O2S
Celebrex
4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide
celecoxibum
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | celecoxib
|
|---|---|
| label | celecoxib
|
| ATCCode |
M01AH01
L01XX33
|
| Definition | A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis.
|
| altId |
CHEBI:41418
CHEBI:3520
|
| has effect |
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|
| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey | InChIKey=RZEKVGVHFLEQIL-UHFFFAOYSA-N
|
| is metabolised by | |
| AHFScode | 28:08.04.08
|
| Synonym |
Celecoxib
celecoxib
p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide
C17H14F3N3O2S
Celebrex
4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide
celecoxibum
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|
| xref |
CiteXplore:23506230
National Drug Code Directory:0025-1515-01
PDB:CEL
ChEMBL:118694
Drugs.com:http://www.drugs.com/celecoxib.html
CiteXplore:17983259
Drugs Product Database (DPD):2239941
Wikipedia:http://en.wikipedia.org/wiki/Celecoxib
KEGG DRUG:D00567
CiteXplore:19137124
ChEBI:3520
RxList:http://www.rxlist.com/cgi/generic/coxib.htm
Reaxys:8280770
CiteXplore:22141388
CiteXplore:22419293
CASRN:184007-95-2
ChemSpider:2562
CiteXplore:21955617
BindingDB:11639
DrugBank:DB00482
CiteXplore:19203891
PubChem Compound:2662
PharmGKB:PA448871
CiteXplore:18405470
CiteXplore:22971036
CASRN:169590-42-5
HMDB:HMDB05014
PubChem Substance:46505596
PDBeChem:CEL
Wikipedia:Celecoxib
CiteXplore:23296687
KEGG COMPOUND:C07589
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|
| CASRN | 169590-42-5
|
| prefixIRI | obo2:CHEBI_41423
|
| is substrate of | |
| SMILES |
CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
|
| DBname | celecoxib
|
| InChI | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
|
| DBBrand |
celebrex
celebra
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |