The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
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

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used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke.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

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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Delete Mapping To Ontology Source
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 DRON 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 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 DRON 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://scai.fraunhofer.de/AlzheimerOntology#valdecoxib ADO 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