The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

celecoxib

Synonyms

Celebrex

celecoxib

celecoxibum

4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

C17H14F3N3O2S

Celecoxib

4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide

p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide

ID

http://purl.obolibrary.org/obo/CHEBI_41423

AHFScode

28:08.04.08

altId

CHEBI:41418

CHEBI:3520

ATCCode

L01XX33

M01AH01

CASRN

169590-42-5

DBBrand

celebra

celebrex

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_0001273

http://purl.obolibrary.org/obo/OAE_0001057

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

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

http://purl.obolibrary.org/obo/OAE_0000573

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

http://purl.obolibrary.org/obo/OAE_0001410

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

http://purl.obolibrary.org/obo/OAE_0001068

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_0000377

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

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

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_0000473

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

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

http://purl.obolibrary.org/obo/OAE_0000449

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

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_0000300

http://purl.obolibrary.org/obo/OAE_0001449

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

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

http://purl.obolibrary.org/obo/OAE_0000611

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_0000406

http://purl.obolibrary.org/obo/OAE_0000050

http://purl.obolibrary.org/obo/OAE_0000789

http://purl.obolibrary.org/obo/OAE_0001164

http://purl.obolibrary.org/obo/OAE_0000866

http://purl.obolibrary.org/obo/OAE_0000396

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

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

http://purl.obolibrary.org/obo/OAE_0000766

http://purl.obolibrary.org/obo/OAE_0001014

http://purl.obolibrary.org/obo/OAE_0000604

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_0001538

http://purl.obolibrary.org/obo/OAE_0000236

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

http://purl.obolibrary.org/obo/OAE_0000894

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

http://purl.obolibrary.org/obo/OAE_0000501

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_0000479

http://purl.obolibrary.org/obo/OAE_0000630

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_0001202

http://purl.obolibrary.org/obo/OAE_0000470

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

http://purl.obolibrary.org/obo/OAE_0000839

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

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

http://purl.obolibrary.org/obo/OAE_0000838

http://purl.obolibrary.org/obo/OAE_0000885

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

http://purl.obolibrary.org/obo/OAE_0000597

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_0000299

http://purl.obolibrary.org/obo/OAE_0000084

http://purl.obolibrary.org/obo/OAE_0001463

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

http://purl.obolibrary.org/obo/OAE_0000542

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_0000518

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

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

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_0000415

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

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

http://purl.obolibrary.org/obo/OAE_0000984

http://purl.obolibrary.org/obo/OAE_0000320

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

http://purl.obolibrary.org/obo/OAE_0001580

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

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

http://purl.obolibrary.org/obo/OAE_0001166

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

http://purl.obolibrary.org/obo/OAE_0000488

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_0000336

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

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

http://purl.obolibrary.org/obo/OAE_0001062

http://purl.obolibrary.org/obo/OAE_0000687

http://purl.obolibrary.org/obo/OAE_0000476

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

http://purl.obolibrary.org/obo/OAE_0000613

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

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

http://purl.obolibrary.org/obo/OAE_0000514

http://purl.obolibrary.org/obo/OAE_0001458

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_0000443

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

http://purl.obolibrary.org/obo/OAE_0001431

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

http://purl.obolibrary.org/obo/OAE_0000419

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

http://purl.obolibrary.org/obo/OAE_0000455

http://purl.obolibrary.org/obo/OAE_0000466

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_0001309

http://purl.obolibrary.org/obo/OAE_0001356

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

http://purl.obolibrary.org/obo/OAE_0000618

http://purl.obolibrary.org/obo/OAE_0000285

http://purl.obolibrary.org/obo/OAE_0000296

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_35481

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

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_0300

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

http://purl.obolibrary.org/obo/dinto_2993

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

Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F

CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F

Synonym

Celebrex

celecoxib

celecoxibum

4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

C17H14F3N3O2S

Celecoxib

4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide

p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide

xref

DrugBank:DB00482

PDBeChem:CEL

Wikipedia:Celecoxib

ChemSpider:2562

CiteXplore:19203891

CASRN:184007-95-2

CiteXplore:23296687

CiteXplore:18405470

ChEBI:3520

CiteXplore:22141388

PDB:CEL

BindingDB:11639

CASRN:169590-42-5

HMDB:HMDB05014

CiteXplore:23506230

PharmGKB:PA448871

CiteXplore:22971036

CiteXplore:19137124

PubChem Substance:46505596

CiteXplore:22419293

Drugs Product Database (DPD):2239941

CiteXplore:17983259

National Drug Code Directory:0025-1515-01

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

PubChem Compound:2662

CiteXplore:21955617

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

Reaxys:8280770

ChEMBL:118694

Drugs.com:http://www.drugs.com/celecoxib.html

KEGG DRUG:D00567

KEGG COMPOUND:C07589

subClassOf

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

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Delete Mapping To Ontology Source
http://sbmi.uth.tmc.edu/ontology/ochv#38485 OCHV LOOM
http://www.drugbank.ca/drugs/DB00482 FTC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C105934 RH-MESH LOOM
http://bmi.utah.edu/ontologies/peontology/C0538927 RAO LOOM
http://purl.bioontology.org/ontology/RXNORM/140587 RXNORM LOOM
http://purl.obolibrary.org/obo/CHEBI_41423 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_41423 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_41423 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423 CCONT LOOM
http://purl.obolibrary.org/obo/CHEBI_41423 CCONT SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_41423 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_41423 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_41423 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423 HINO LOOM
http://purl.obolibrary.org/obo/CHEBI_41423 HINO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_41423 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_41423 NIFSTD SAME_URI
http://doe-generated-ontology.com/OntoAD#C0538927 ONTOAD LOOM
http://purl.bioontology.org/ontology/VANDF/4021143 VANDF LOOM
http://purl.bioontology.org/ontology/UATC/L01XX33 ATC LOOM
http://scai.fraunhofer.de/AlzheimerOntology#celecoxib ADO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148596 NDFRT LOOM
http://purl.bioontology.org/ontology/MESH/D000068579 MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0538927 OCHV LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/116081000 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/UATC/M01AH01 ATC LOOM
http://purl.obolibrary.org/obo/DRON_00014627 DRON LOOM
http://purl.obolibrary.org/obo/DRON_00014627 DRON LOOM
http://www.co-ode.org/ontologies/galen#Celecoxib GALEN LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000043023 PDQ LOOM
http://purl.jp/bio/4/id/200906068548516927 IOBC LOOM
http://purl.bioontology.org/ontology/LNC/LP28519-4 LOINC LOOM
http://purl.bioontology.org/ontology/LNC/MTHU013163 LOINC LOOM
http://stirdf.jst.go.jp/id/200907033959748921 IOBC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1728 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1728 NCIT LOOM