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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
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| Preferred Name | teriflunomide | |
| Synonyms |
A 77-1726 teriflunomidum (Z)-2-cyano-alpha,alpha,alpha-trifluoro-3-hydroxy-p-crotonotoluidide HMR 1726 (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide teriflunomide HMR1726 C12H9F3N2O2 Aubagio teriflunomida A 771726 |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_68540 |
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| binds | ||
| CASRN |
163451-81-8
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| DBBrand |
aubagio?
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| DBSynonym |
a-771726 hmr1726
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| Definition |
A carboxamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the anilino group of 4-(trifluoromethyl)aniline. Used for the treatment of relapsing forms of multiple sclerosis and rheumatoid arthritis. Teriflunomide is the active metabolite of leflunomide, and it acts as an immunomodulatory agent by inhibiting pyrimidine synthesis. It is marketed under the name Aubagio? and is indicated for the treatment of multiple sclerosis, specifically relapsing forms. The FDA label states an important warning about the risk of hepatoxicity and teratogenicity for patients using teriflunomide.
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| has role |
http://purl.obolibrary.org/obo/CHEBI_38637 http://purl.obolibrary.org/obo/CHEBI_49103 http://purl.obolibrary.org/obo/CHEBI_68542 |
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| InChI |
InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
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| InChIKey |
InChIKey=UTNUDOFZCWSZMS-YFHOEESVSA-N
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| inhibits | ||
| is substrate of | ||
| is transported by | ||
| label |
teriflunomide
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| may interact with |
http://purl.obolibrary.org/obo/dinto_DB00108 http://purl.obolibrary.org/obo/CHEBI_61049 |
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| prefixIRI |
obo2:CHEBI_68540
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| prefLabel |
teriflunomide
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| SMILES |
C\\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
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| Synonym |
A 77-1726 teriflunomidum (Z)-2-cyano-alpha,alpha,alpha-trifluoro-3-hydroxy-p-crotonotoluidide HMR 1726 (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide teriflunomide HMR1726 C12H9F3N2O2 Aubagio teriflunomida A 771726
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| xref |
CiteXplore:22278631 CiteXplore:22766059 CiteXplore:22622860 CiteXplore:22960763 CiteXplore:22784880 CiteXplore:22229697 CASRN:163451-81-8 Wikipedia:Teriflunomide PDBeChem:A26 CiteXplore:22052286 CiteXplore:21349677 CiteXplore:22612746 CiteXplore:22148963 CiteXplore:21625416 CiteXplore:22965070 CiteXplore:22307384 KEGG DRUG:D10172 ChEMBL:196107 Wikipedia:http://en.wikipedia.org/wiki/Teriflunomide CiteXplore:22398660 ChEBI:68540 CiteXplore:21367665 CiteXplore:21425264 CiteXplore:20880295 Drugs.com:http://www.drugs.com/mtm/teriflunomide.html CiteXplore:22673950 CiteXplore:22723573 CiteXplore:22012334 National Drug Code Directory:58468-0210-1 RxList:http://www.rxlist.com/aubagio-drug.htm CiteXplore:22426573 CiteXplore:22052362 Reaxys:6655982 CiteXplore:21991951 CiteXplore:22796174
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