The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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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
ID	http://purl.obolibrary.org/obo/CHEBI_63634
altId	CHEBI:41662
ATCCode	M01AH03
binds	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_2116 http://purl.obolibrary.org/obo/dinto_0265 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_0938
CASRN	181695-72-7
DBBrand	bextra
DBname	valdecoxib
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used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke.
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_0000785 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_0000236 http://purl.obolibrary.org/obo/OAE_0000604 http://purl.obolibrary.org/obo/OAE_0000838 http://purl.obolibrary.org/obo/OAE_0000905 http://purl.obolibrary.org/obo/OAE_0001154 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_0001188 http://purl.obolibrary.org/obo/OAE_0000391 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_0000659 http://purl.obolibrary.org/obo/OAE_0000198 http://purl.obolibrary.org/obo/OAE_0001744 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000650 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0001046 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0001509 http://purl.obolibrary.org/obo/OAE_0000921 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_0001369 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_0000545 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_0000967 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000660 http://purl.obolibrary.org/obo/OAE_0001751 http://purl.obolibrary.org/obo/OAE_0001280 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000250 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_0000920 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_0001053 http://purl.obolibrary.org/obo/OAE_0000340 http://purl.obolibrary.org/obo/OAE_0001055 http://purl.obolibrary.org/obo/OAE_0000770 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_0000551 http://purl.obolibrary.org/obo/OAE_0000691 http://purl.obolibrary.org/obo/OAE_0000895 http://purl.obolibrary.org/obo/OAE_0001275 http://purl.obolibrary.org/obo/OAE_0001300 http://purl.obolibrary.org/obo/OAE_0000517 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_0000782 http://purl.obolibrary.org/obo/OAE_0001003 http://purl.obolibrary.org/obo/OAE_0001200 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0001068 http://purl.obolibrary.org/obo/OAE_0001529 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0001341 http://purl.obolibrary.org/obo/OAE_0000494 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_0000341 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0000473 http://purl.obolibrary.org/obo/OAE_0001004 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_0000968 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000166 http://purl.obolibrary.org/obo/OAE_0002122 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_0001256 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_0000306 http://purl.obolibrary.org/obo/OAE_0001336 http://purl.obolibrary.org/obo/OAE_0000404 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_0000602 http://purl.obolibrary.org/obo/OAE_0001147 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0000701 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000275 http://purl.obolibrary.org/obo/OAE_0000390 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000470 http://purl.obolibrary.org/obo/OAE_0000514 http://purl.obolibrary.org/obo/OAE_0001345 http://purl.obolibrary.org/obo/OAE_0000873 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0001166 http://purl.obolibrary.org/obo/OAE_0000394 http://purl.obolibrary.org/obo/OAE_0000211 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_0001170 http://purl.obolibrary.org/obo/OAE_0000618 http://purl.obolibrary.org/obo/OAE_0001458 http://purl.obolibrary.org/obo/OAE_0001364 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001298 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_35493 http://purl.obolibrary.org/obo/CHEBI_50629 http://purl.obolibrary.org/obo/CHEBI_35475 http://purl.obolibrary.org/obo/CHEBI_35842 http://purl.obolibrary.org/obo/CHEBI_35481
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)
InChIKey	InChIKey=LNPDTQAFDNKSHK-UHFFFAOYSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_2116
is metabolised by	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0265 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_0938
is substrate of	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0265 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_0938
label	valdecoxib
prefixIRI	obo2:CHEBI_63634
prefLabel	valdecoxib
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
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
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
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_63634	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63634	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63634	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63634	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63634	DDSS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63634	CHEBI	SAME_URI
http://sbmi.uth.tmc.edu/ontology/ochv#52318	OCHV	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C406224	RH-MESH	LOOM
http://purl.bioontology.org/ontology/RXNORM/278567	RXNORM	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0913246	OCHV	LOOM
http://purl.obolibrary.org/obo/CHEBI_63634	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_63634	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_63634	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_63634	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_63634	DDSS	LOOM
http://purl.obolibrary.org/obo/CHEBI_63634	CHEBI	LOOM
http://purl.obolibrary.org/obo/NCIT_C1869	BERO	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026377	PMAPP-PMO	LOOM
http://purl.obolibrary.org/obo/DRON_00018583	ODNAE	LOOM
http://purl.bioontology.org/ontology/NDDF/009503	NDDF	LOOM
http://purl.bioontology.org/ontology/LNC/LP171648-1	LOINC	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148721	ODAE	LOOM
http://purl.bioontology.org/ontology/MESH/C406224	MESH	LOOM
http://purl.bioontology.org/ontology/ATC/M01AH03	ATC	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148721	NDFRT	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1869	NCIT	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000038320	PDQ	LOOM
http://www.semanticweb.org/admin/ontologies/2022/7/MIO:03069	MIO	LOOM
http://purl.bioontology.org/ontology/VANDF/4021284	VANDF	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/385584001	SNOMEDCT	LOOM
http://www.drugbank.ca/drugs/DB00580	FTC	LOOM
https://go.drugbank.com/drugs/DB00580	MDM	LOOM