The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	rofecoxib
Synonyms	rofecoxibum rofecoxib Ceoxx 4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one 3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone Rofecoxib 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one C17H14O4S 4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone Vioxx
ID	http://purl.obolibrary.org/obo/CHEBI_8887
ATCCode	M01AH02
binds	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2116 http://purl.obolibrary.org/obo/dinto_0300 http://purl.obolibrary.org/obo/dinto_1275 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_1221 http://purl.obolibrary.org/obo/dinto_0938
CASRN	162011-90-7
DBBrand	vioxx
DBname	rofecoxib
DBSynonym	mk 996 mk 966
Definition	A butenolide that is furan-2(5H)-one that is substituted by a phenyl group at position 3 and by a p-(methylsulfonyl)phenyl group at position 4. A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.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_0000453 http://purl.obolibrary.org/obo/OAE_0001373 http://purl.obolibrary.org/obo/OAE_0000081 http://purl.obolibrary.org/obo/OAE_0000356 http://purl.obolibrary.org/obo/OAE_0000303 http://purl.obolibrary.org/obo/OAE_0001505 http://purl.obolibrary.org/obo/OAE_0001098 http://purl.obolibrary.org/obo/OAE_0000902 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0000376 http://purl.obolibrary.org/obo/OAE_0000335 http://purl.obolibrary.org/obo/OAE_0000659 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_0000411 http://purl.obolibrary.org/obo/OAE_0000512 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0001489 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_0000967 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000333 http://purl.obolibrary.org/obo/OAE_0001051 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000762 http://purl.obolibrary.org/obo/OAE_0000281 http://purl.obolibrary.org/obo/OAE_0001339 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0001365 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_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_0000863 http://purl.obolibrary.org/obo/OAE_0000601 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_0000895 http://purl.obolibrary.org/obo/OAE_0001275 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_0001461 http://purl.obolibrary.org/obo/OAE_0000327 http://purl.obolibrary.org/obo/OAE_0001295 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0001190 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_0000643 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0001453 http://purl.obolibrary.org/obo/OAE_0000243 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_0000469 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000525 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_0000438 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0001742 http://purl.obolibrary.org/obo/OAE_0000460 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_0001205 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000185 http://purl.obolibrary.org/obo/OAE_0000468 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0000701 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000565 http://purl.obolibrary.org/obo/OAE_0001345 http://purl.obolibrary.org/obo/OAE_0000873 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_0000358 http://purl.obolibrary.org/obo/OAE_0000534 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_35480 http://purl.obolibrary.org/obo/CHEBI_35475
InChI	InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey	InChIKey=RZJQGNCSTQAWON-UHFFFAOYSA-N
induces	http://purl.obolibrary.org/obo/dinto_0901
inhibits	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2116 http://purl.obolibrary.org/obo/dinto_0300
is metabolised by	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1221 http://purl.obolibrary.org/obo/dinto_0938
is substrate of	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1221 http://purl.obolibrary.org/obo/dinto_0938
label	rofecoxib
may interact with	http://purl.obolibrary.org/obo/dinto_DB01303 http://purl.obolibrary.org/obo/CHEBI_44185 http://purl.obolibrary.org/obo/dinto_DB01223 http://purl.obolibrary.org/obo/dinto_DB01356 http://purl.obolibrary.org/obo/CHEBI_28177
prefixIRI	obo2:CHEBI_8887
prefLabel	rofecoxib
related with	http://purl.obolibrary.org/obo/dinto_1275
SMILES	CS(=O)(=O)C1=CC=C(C=C1)C1=C(C(=O)OC1)C1=CC=CC=C1 CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Synonym	rofecoxibum rofecoxib Ceoxx 4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one 3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone Rofecoxib 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one C17H14O4S 4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone Vioxx
xref	KEGG DRUG:D00568 ChemSpider:4911 BindingDB:22369 Wikipedia:Rofecoxib Drugs.com:http://www.drugs.com/mtm/rofecoxib.html CiteXplore:16934051 RxList:http://www.rxlist.com/cgi/generic/rofecox.htm CiteXplore:12069696 ChEBI:8887 PubChem Substance:46504787 Beilstein:8269007 PharmGKB:PA451268 CiteXplore:10859630 ChEMBL:121697 Drugs Product Database (DPD):2241109 Wikipedia:http://en.wikipedia.org/wiki/Rofecoxib KEGG COMPOUND:C07590 CiteXplore:20162413 PubChem Compound:5090 DrugBank:DB00533 CiteXplore:11014111 Reaxys:8269007 CASRN:162011-90-7
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_8887	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887	CCONT	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887	DDSS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887	DRON	SAME_URI
http://www.drugbank.ca/drugs/DB00533	FTC	LOOM
http://purl.bioontology.org/ontology/ATC/M01AH02	ATC	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387008005	SNOMEDCT	LOOM
http://doe-generated-ontology.com/OntoAD#C0762662	ONTOAD	LOOM
http://purl.bioontology.org/ontology/VANDF/4021160	VANDF	LOOM
http://bmi.utah.edu/ontologies/hfontology/C0762662	HFO	LOOM
http://purl.bioontology.org/ontology/MESH/C116926	MESH	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000038568	PDQ	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148611	ODAE	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C116926	RH-MESH	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	CCONT	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	EFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	EFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	DDSS	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	NIFSTD	LOOM
http://purl.obolibrary.org/obo/CHEBI_8887	DRON	LOOM
http://purl.bioontology.org/ontology/LNC/LP171636-6	LOINC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#48620	OCHV	LOOM
https://go.drugbank.com/drugs/DB00533	MDM	LOOM
http://purl.obolibrary.org/obo/NCIT_C1832	BERO	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1832	NCIT	LOOM
http://purl.bioontology.org/ontology/RXNORM/232158	RXNORM	LOOM
http://www.semanticweb.org/admin/ontologies/2022/7/MIO:03068	MIO	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026380	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148611	NDFRT	LOOM
http://purl.obolibrary.org/obo/DRON_00015719	ODNAE	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0762662	OCHV	LOOM
http://purl.bioontology.org/ontology/NDDF/007787	NDDF	LOOM
http://www.co-ode.org/ontologies/galen#Rofecoxib	GALEN	LOOM