The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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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
ID	http://purl.obolibrary.org/obo/CHEBI_41423
AHFScode	28:08.04.08
altId	CHEBI:41418 CHEBI:3520
ATCCode	M01AH01 L01XX33
CASRN	169590-42-5
DBBrand	celebrex celebra
DBname	celecoxib
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.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000496 http://purl.obolibrary.org/obo/OAE_0000424 http://purl.obolibrary.org/obo/OAE_0000449 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0001373 http://purl.obolibrary.org/obo/OAE_0000597 http://purl.obolibrary.org/obo/OAE_0000356 http://purl.obolibrary.org/obo/OAE_0000573 http://purl.obolibrary.org/obo/OAE_0000236 http://purl.obolibrary.org/obo/OAE_0000604 http://purl.obolibrary.org/obo/OAE_0001505 http://purl.obolibrary.org/obo/OAE_0000838 http://purl.obolibrary.org/obo/OAE_0001098 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000902 http://purl.obolibrary.org/obo/OAE_0001273 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000839 http://purl.obolibrary.org/obo/OAE_0000630 http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000479 http://purl.obolibrary.org/obo/OAE_0001744 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0001509 http://purl.obolibrary.org/obo/OAE_0000443 http://purl.obolibrary.org/obo/OAE_0001431 http://purl.obolibrary.org/obo/OAE_0000512 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0000611 http://purl.obolibrary.org/obo/OAE_0001449 http://purl.obolibrary.org/obo/OAE_0001410 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000195 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0000210 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0001580 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000281 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000050 http://purl.obolibrary.org/obo/OAE_0000984 http://purl.obolibrary.org/obo/OAE_0001365 http://purl.obolibrary.org/obo/OAE_0000476 http://purl.obolibrary.org/obo/OAE_0001538 http://purl.obolibrary.org/obo/OAE_0000608 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0000103 http://purl.obolibrary.org/obo/OAE_0001168 http://purl.obolibrary.org/obo/OAE_0000861 http://purl.obolibrary.org/obo/OAE_0000340 http://purl.obolibrary.org/obo/OAE_0000518 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0000454 http://purl.obolibrary.org/obo/OAE_0001026 http://purl.obolibrary.org/obo/OAE_0000287 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0001463 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000300 http://purl.obolibrary.org/obo/OAE_0001340 http://purl.obolibrary.org/obo/OAE_0001062 http://purl.obolibrary.org/obo/OAE_0001275 http://purl.obolibrary.org/obo/OAE_0000687 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0001234 http://purl.obolibrary.org/obo/OAE_0000498 http://purl.obolibrary.org/obo/OAE_0000502 http://purl.obolibrary.org/obo/OAE_0000084 http://purl.obolibrary.org/obo/OAE_0001014 http://purl.obolibrary.org/obo/OAE_0001057 http://purl.obolibrary.org/obo/OAE_0000419 http://purl.obolibrary.org/obo/OAE_0001295 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0001068 http://purl.obolibrary.org/obo/OAE_0000268 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000542 http://purl.obolibrary.org/obo/OAE_0000613 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0000320 http://purl.obolibrary.org/obo/OAE_0000473 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000607 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000789 http://purl.obolibrary.org/obo/OAE_0000038 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000968 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000438 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0001202 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0000866 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000780 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0001356 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000185 http://purl.obolibrary.org/obo/OAE_0000285 http://purl.obolibrary.org/obo/OAE_0000468 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000336 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000470 http://purl.obolibrary.org/obo/OAE_0000565 http://purl.obolibrary.org/obo/OAE_0000514 http://purl.obolibrary.org/obo/OAE_0000873 http://purl.obolibrary.org/obo/OAE_0000296 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0001166 http://purl.obolibrary.org/obo/OAE_0000462 http://purl.obolibrary.org/obo/OAE_0000466 http://purl.obolibrary.org/obo/OAE_0000358 http://purl.obolibrary.org/obo/OAE_0001309 http://purl.obolibrary.org/obo/OAE_0000766 http://purl.obolibrary.org/obo/OAE_0000618 http://purl.obolibrary.org/obo/OAE_0000488 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0000885 http://purl.obolibrary.org/obo/OAE_0001458 http://purl.obolibrary.org/obo/OAE_0000299 http://purl.obolibrary.org/obo/OAE_0001364 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0000350 http://purl.obolibrary.org/obo/OAE_0000304
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2116
has role	http://purl.obolibrary.org/obo/CHEBI_50629 http://purl.obolibrary.org/obo/CHEBI_35481
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)
InChIKey	InChIKey=RZEKVGVHFLEQIL-UHFFFAOYSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_0336 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_2116 http://purl.obolibrary.org/obo/dinto_0300
is metabolised by	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1221
is substrate of	http://purl.obolibrary.org/obo/dinto_3582 http://purl.obolibrary.org/obo/dinto_0217
label	celecoxib
prefixIRI	obo2:CHEBI_41423
prefLabel	celecoxib
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
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
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
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_41423	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423	HINO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423	EFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_41423	CHEBI	LOOM
https://go.drugbank.com/drugs/DB00482	MDM	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0538927	OCHV	LOOM
http://purl.obolibrary.org/obo/NCIT_C1728	BERO	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148596	NDFRT	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000043023	PDQ	LOOM
http://www.drugbank.ca/drugs/DB00482	FTC	LOOM
http://www.co-ode.org/ontologies/galen#Celecoxib	GALEN	LOOM
http://purl.bioontology.org/ontology/LNC/LP28519-4	LOINC	LOOM
http://doe-generated-ontology.com/OntoAD#C0538927	ONTOAD	LOOM
http://purl.bioontology.org/ontology/LNC/MTHU013163	LOINC	LOOM
http://purl.bioontology.org/ontology/MESH/D000068579	MESH	LOOM
http://purl.bioontology.org/ontology/ATC/M01AH01	ATC	LOOM
http://purl.obolibrary.org/obo/CHEBI_41423	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_41423	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_41423	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_41423	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_41423	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_41423	NIFSTD	LOOM
http://purl.obolibrary.org/obo/CHEBI_41423	HINO	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#38485	OCHV	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00015945	PMAPP-PMO	LOOM
http://purl.obolibrary.org/obo/OMIT_0001295	OMIT	LOOM
http://purl.jp/bio/4/id/200906068548516927	IOBC	LOOM
http://purl.bioontology.org/ontology/RXNORM/140587	RXNORM	LOOM
http://purl.obolibrary.org/obo/MESH_D000068579	BERO	LOOM
http://bmi.utah.edu/ontologies/peontology/C0538927	RAO	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C105934	RH-MESH	LOOM
http://stirdf.jst.go.jp/id/200907033959748921	IOBC	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1728	NCIT	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/116081000	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/VANDF/4021143	VANDF	LOOM
http://scai.fraunhofer.de/AlzheimerOntology#celecoxib	ADO	LOOM
http://purl.bioontology.org/ontology/ATC/L01XX33	ATC	LOOM
http://www.semanticweb.org/admin/ontologies/2022/7/MIO:03066	MIO	LOOM