The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

rofecoxib

Synonyms

4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone

3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

Ceoxx

Rofecoxib

Vioxx

rofecoxibum

4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one

C17H14O4S

4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one

rofecoxib

ID

http://purl.obolibrary.org/obo/CHEBI_8887

ATCCode

M01AH02

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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.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_0000081

http://purl.obolibrary.org/obo/OAE_0000505

http://purl.obolibrary.org/obo/OAE_0000355

http://purl.obolibrary.org/obo/OAE_0000411

http://purl.obolibrary.org/obo/OAE_0000400

http://purl.obolibrary.org/obo/OAE_0000770

http://purl.obolibrary.org/obo/OAE_0000356

http://purl.obolibrary.org/obo/OAE_0000401

http://purl.obolibrary.org/obo/OAE_0000185

http://purl.obolibrary.org/obo/OAE_0001345

http://purl.obolibrary.org/obo/OAE_0000632

http://purl.obolibrary.org/obo/OAE_0000643

http://purl.obolibrary.org/obo/OAE_0000968

http://purl.obolibrary.org/obo/OAE_0001205

http://purl.obolibrary.org/obo/OAE_0000608

http://purl.obolibrary.org/obo/OAE_0000567

http://purl.obolibrary.org/obo/OAE_0000218

http://purl.obolibrary.org/obo/OAE_0001509

http://purl.obolibrary.org/obo/OAE_0000462

http://purl.obolibrary.org/obo/OAE_0001129

http://purl.obolibrary.org/obo/OAE_0000438

http://purl.obolibrary.org/obo/OAE_0000496

http://purl.obolibrary.org/obo/OAE_0001461

http://purl.obolibrary.org/obo/OAE_0000659

http://purl.obolibrary.org/obo/OAE_0000333

http://purl.obolibrary.org/obo/OAE_0000391

http://purl.obolibrary.org/obo/OAE_0001448

http://purl.obolibrary.org/obo/OAE_0000281

http://purl.obolibrary.org/obo/OAE_0000335

http://purl.obolibrary.org/obo/OAE_0000300

http://purl.obolibrary.org/obo/OAE_0001046

http://purl.obolibrary.org/obo/OAE_0000268

http://purl.obolibrary.org/obo/OAE_0000600

http://purl.obolibrary.org/obo/OAE_0000902

http://purl.obolibrary.org/obo/OAE_0000534

http://purl.obolibrary.org/obo/OAE_0000385

http://purl.obolibrary.org/obo/OAE_0001489

http://purl.obolibrary.org/obo/OAE_0000406

http://purl.obolibrary.org/obo/OAE_0000650

http://purl.obolibrary.org/obo/OAE_0000418

http://purl.obolibrary.org/obo/OAE_0001340

http://purl.obolibrary.org/obo/OAE_0001742

http://purl.obolibrary.org/obo/OAE_0001339

http://purl.obolibrary.org/obo/OAE_0001373

http://purl.obolibrary.org/obo/OAE_0001234

http://purl.obolibrary.org/obo/OAE_0001168

http://purl.obolibrary.org/obo/OAE_0000895

http://purl.obolibrary.org/obo/OAE_0000502

http://purl.obolibrary.org/obo/OAE_0000468

http://purl.obolibrary.org/obo/OAE_0000512

http://purl.obolibrary.org/obo/OAE_0000780

http://purl.obolibrary.org/obo/OAE_0001098

http://purl.obolibrary.org/obo/OAE_0000317

http://purl.obolibrary.org/obo/OAE_0000375

http://purl.obolibrary.org/obo/OAE_0000287

http://purl.obolibrary.org/obo/OAE_0001744

http://purl.obolibrary.org/obo/OAE_0002206

http://purl.obolibrary.org/obo/OAE_0001364

http://purl.obolibrary.org/obo/OAE_0001515

http://purl.obolibrary.org/obo/OAE_0000967

http://purl.obolibrary.org/obo/OAE_0001505

http://purl.obolibrary.org/obo/OAE_0000873

http://purl.obolibrary.org/obo/OAE_0000424

http://purl.obolibrary.org/obo/OAE_0000861

http://purl.obolibrary.org/obo/OAE_0000701

http://purl.obolibrary.org/obo/OAE_0000469

http://purl.obolibrary.org/obo/OAE_0000343

http://purl.obolibrary.org/obo/OAE_0000308

http://purl.obolibrary.org/obo/OAE_0000319

http://purl.obolibrary.org/obo/OAE_0001275

http://purl.obolibrary.org/obo/OAE_0000376

http://purl.obolibrary.org/obo/OAE_0000103

http://purl.obolibrary.org/obo/OAE_0000508

http://purl.obolibrary.org/obo/OAE_0000195

http://purl.obolibrary.org/obo/OAE_0000382

http://purl.obolibrary.org/obo/OAE_0000403

http://purl.obolibrary.org/obo/OAE_0000414

http://purl.obolibrary.org/obo/OAE_0000358

http://purl.obolibrary.org/obo/OAE_0000565

http://purl.obolibrary.org/obo/OAE_0000762

http://purl.obolibrary.org/obo/OAE_0000460

http://purl.obolibrary.org/obo/OAE_0000402

http://purl.obolibrary.org/obo/OAE_0000034

http://purl.obolibrary.org/obo/OAE_0000021

http://purl.obolibrary.org/obo/OAE_0000863

http://purl.obolibrary.org/obo/OAE_0000415

http://purl.obolibrary.org/obo/OAE_0000601

http://purl.obolibrary.org/obo/OAE_0000310

http://purl.obolibrary.org/obo/OAE_0000243

http://purl.obolibrary.org/obo/OAE_0000645

http://purl.obolibrary.org/obo/OAE_0000453

http://purl.obolibrary.org/obo/OAE_0000647

http://purl.obolibrary.org/obo/OAE_0001190

http://purl.obolibrary.org/obo/OAE_0001004

http://purl.obolibrary.org/obo/OAE_0001051

http://purl.obolibrary.org/obo/OAE_0000454

http://purl.obolibrary.org/obo/OAE_0001453

http://purl.obolibrary.org/obo/OAE_0000038

http://purl.obolibrary.org/obo/OAE_0001026

http://purl.obolibrary.org/obo/OAE_0000498

http://purl.obolibrary.org/obo/OAE_0000394

http://purl.obolibrary.org/obo/OAE_0000086

http://purl.obolibrary.org/obo/OAE_0000350

http://purl.obolibrary.org/obo/OAE_0000327

http://purl.obolibrary.org/obo/OAE_0000303

http://purl.obolibrary.org/obo/OAE_0000211

http://purl.obolibrary.org/obo/OAE_0000602

http://purl.obolibrary.org/obo/OAE_0000525

http://purl.obolibrary.org/obo/OAE_0000536

http://purl.obolibrary.org/obo/OAE_0000210

http://purl.obolibrary.org/obo/OAE_0000561

http://purl.obolibrary.org/obo/OAE_0000825

http://purl.obolibrary.org/obo/OAE_0000388

http://purl.obolibrary.org/obo/OAE_0000584

http://purl.obolibrary.org/obo/OAE_0002122

http://purl.obolibrary.org/obo/OAE_0000779

http://purl.obolibrary.org/obo/OAE_0001365

http://purl.obolibrary.org/obo/OAE_0000362

http://purl.obolibrary.org/obo/OAE_0000304

http://purl.obolibrary.org/obo/OAE_0000340

http://purl.obolibrary.org/obo/OAE_0000607

http://purl.obolibrary.org/obo/OAE_0000373

http://purl.obolibrary.org/obo/OAE_0001295

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2116

has role

http://purl.obolibrary.org/obo/CHEBI_35480

http://purl.obolibrary.org/obo/CHEBI_35475

http://purl.obolibrary.org/obo/CHEBI_50629

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_0300

http://purl.obolibrary.org/obo/dinto_2116

http://purl.obolibrary.org/obo/dinto_2651

is metabolised by

http://purl.obolibrary.org/obo/dinto_2058

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_0938

http://purl.obolibrary.org/obo/dinto_2651

http://purl.obolibrary.org/obo/dinto_1221

label

rofecoxib

may interact with

http://purl.obolibrary.org/obo/CHEBI_28177

http://purl.obolibrary.org/obo/CHEBI_44185

http://purl.obolibrary.org/obo/dinto_DB01223

http://purl.obolibrary.org/obo/dinto_DB01303

http://purl.obolibrary.org/obo/dinto_DB01356

prefixIRI

obo2:CHEBI_8887

prefLabel

rofecoxib

related with

http://purl.obolibrary.org/obo/dinto_1275

SMILES

CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1

CS(=O)(=O)C1=CC=C(C=C1)C1=C(C(=O)OC1)C1=CC=CC=C1

Synonym

4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone

3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

Ceoxx

Rofecoxib

Vioxx

rofecoxibum

4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one

C17H14O4S

4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one

rofecoxib

xref

Beilstein:8269007

KEGG DRUG:D00568

PubChem Compound:5090

Reaxys:8269007

Drugs Product Database (DPD):2241109

PubChem Substance:46504787

CiteXplore:20162413

CiteXplore:16934051

Wikipedia:http://en.wikipedia.org/wiki/Rofecoxib

CiteXplore:12069696

ChemSpider:4911

RxList:http://www.rxlist.com/cgi/generic/rofecox.htm

Wikipedia:Rofecoxib

CiteXplore:11014111

ChEMBL:121697

DrugBank:DB00533

ChEBI:8887

CASRN:162011-90-7

KEGG COMPOUND:C07590

PharmGKB:PA451268

CiteXplore:10859630

BindingDB:22369

Drugs.com:http://www.drugs.com/mtm/rofecoxib.html

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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http://purl.bioontology.org/ontology/NDFRT/N0000148611 NDFRT LOOM
http://purl.bioontology.org/ontology/LNC/LP171636-6 LOINC LOOM
http://purl.obolibrary.org/obo/DRON_00015719 ODNAE LOOM
http://purl.obolibrary.org/obo/DRON_00015719 DRON LOOM
http://scai.fraunhofer.de/AlzheimerOntology#rofecoxib ADO LOOM
http://purl.bioontology.org/ontology/UATC/M01AH02 ATC LOOM
http://doe-generated-ontology.com/OntoAD#C0762662 ONTOAD LOOM
http://purl.bioontology.org/ontology/RXNORM/232158 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C116926 RH-MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#48620 OCHV LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0762662 OCHV LOOM
http://purl.bioontology.org/ontology/VANDF/4021160 VANDF LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887 CCONT LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 CCONT SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 NIFSTD SAME_URI
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1832 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1832 NCIT LOOM
http://purl.bioontology.org/ontology/MESH/C116926 MESH LOOM
http://purl.bioontology.org/ontology/NDDF/007787 NDDF LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387008005 SNOMEDCT LOOM
http://www.co-ode.org/ontologies/galen#Rofecoxib GALEN 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://www.drugbank.ca/drugs/DB00533 FTC LOOM
http://bmi.utah.edu/ontologies/hfontology/C0762662 HFO LOOM