loading...| 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 etoricoxibum 5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine Etoricoxib 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine etoricoxib ETORICOXIB L791456 C18H15ClN2O2S 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6339 |
|
| altId |
CHEBI:106706 |
|
| ATCCode |
M01AH05 |
|
| binds |
http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0293 http://purl.obolibrary.org/obo/dinto_0291 |
|
| 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 | ||
| has role | ||
| 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_2651 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0293 http://purl.obolibrary.org/obo/dinto_0291 |
|
| is metabolised by |
http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2058 |
|
| is substrate of |
http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2058 |
|
| label |
etoricoxib |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_53766 http://purl.obolibrary.org/obo/CHEBI_133809 http://purl.obolibrary.org/obo/dinto_DB01356 http://purl.obolibrary.org/obo/CHEBI_10033 http://purl.obolibrary.org/obo/dinto_DB00977 |
|
| 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 etoricoxibum 5-chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine Etoricoxib 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine etoricoxib ETORICOXIB L791456 C18H15ClN2O2S 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine |
|
| xref |
PubChem Substance:46504505 Wikipedia:Etoricoxib ChEMBL:15239665 ChEMBL:11327589 CASRN:202409-33-4 ChEMBL:15916445 PharmGKB:PA164776853 ChEMBL:14761182 DrugBank:DB01628 KEGG DRUG:D03710 PDB:5CH ChEMBL:15454242 ChemSpider:110209 KEGG COMPOUND:C11718 Wikipedia:http://en.wikipedia.org/wiki/Etoricoxib PubChem Compound:123619 ChEBI:6339 BindingDB:50072064 |
|
| subClassOf |