The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

etoricoxib

Synonyms

5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl

5-chloro-3-(4-methanesulfonylphenyl)-2-(6-methylpyridin-3-yl)pyridine

5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine

ETORICOXIB

etoricoxib

C18H15ClN2O2S

5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine

5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine

L791456

etoricoxibum

Etoricoxib

ID

http://purl.obolibrary.org/obo/CHEBI_6339

altId

CHEBI:106706

ATCCode

M01AH05

CASRN

202409-33-4

DBBrand

arcoxia

algix

nucoxia

tauxib

DBname

etoricoxib

DBSynonym

mk-663

Definition

A member of the class of bipyridines that is 2,3'-bipyridine which is substituted at the 3, 5, and 6' positions by 4-(methylsulfonyl)phenyl, chlorine, and methyl groups, respectively.

has pharmacological target

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

has role

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

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

InChI

InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3

InChIKey

InChIKey=MNJVRJDLRVPLFE-UHFFFAOYSA-N

inhibits

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

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

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

http://purl.obolibrary.org/obo/dinto_0291

http://purl.obolibrary.org/obo/dinto_0293

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

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_2993

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

label

etoricoxib

may interact with

http://purl.obolibrary.org/obo/CHEBI_10033

http://purl.obolibrary.org/obo/CHEBI_4513

http://purl.obolibrary.org/obo/CHEBI_28077

http://purl.obolibrary.org/obo/dinto_DB00977

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

http://purl.obolibrary.org/obo/CHEBI_133809

http://purl.obolibrary.org/obo/CHEBI_53766

prefixIRI

obo2:CHEBI_6339

prefLabel

etoricoxib

SMILES

CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O

Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O

Synonym

5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl

5-chloro-3-(4-methanesulfonylphenyl)-2-(6-methylpyridin-3-yl)pyridine

5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine

ETORICOXIB

etoricoxib

C18H15ClN2O2S

5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine

5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine

L791456

etoricoxibum

Etoricoxib

xref

PubChem Substance:46504505

ChEMBL:11327589

CASRN:202409-33-4

BindingDB:50072064

ChEBI:6339

PharmGKB:PA164776853

ChEMBL:15454242

ChemSpider:110209

ChEMBL:15916445

PubChem Compound:123619

ChEMBL:14761182

DrugBank:DB01628

KEGG COMPOUND:C11718

ChEMBL:15239665

PDB:5CH

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

KEGG DRUG:D03710

Wikipedia:Etoricoxib

subClassOf

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

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