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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:leflunomide
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Accession:CHEBI:6402 term browser browse the term
Definition:A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.
Synonyms:exact_synonym: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
 related_synonym: 5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide;   5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide;   Arava;   Formula=C12H9F3N2O2;   InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18);   InChIKey=VHOGYURTWQBHIL-UHFFFAOYSA-N;   SMILES=Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F;   alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide;   leflunomida;   leflunomidum
 xref: CAS:75706-12-6;   DrugBank:DB01097;   Drug_Central:1552;   HMDB:HMDB0015229;   KEGG:C07905;   KEGG:D00749;   LINCS:LSM-3771
 xref_mesh: MESH:C045463
 xref: PMID:10515382;   PMID:10702725;   PMID:10890256;   PMID:11043056;   PMID:11053058;   PMID:11067959;   PMID:11271257;   PMID:11333342;   PMID:11340750;   PMID:11391470;   PMID:11475244;   PMID:11522581;   PMID:11707749;   PMID:11718154;   PMID:11876141;   PMID:11884931;   PMID:11994686;   PMID:12017890;   PMID:12074690;   PMID:12833393;   PMID:14622739;   PMID:15030575;   PMID:15127968;   PMID:15127974;   PMID:15188371;   PMID:15214907;   PMID:15385935;   PMID:15489872;   PMID:15537652;   PMID:15652966;   PMID:15665760;   PMID:15789891;   PMID:15899055;   PMID:15934905;   PMID:16106593;   PMID:16142756;   PMID:16202258;   PMID:16284916;   PMID:16638062;   PMID:16638420;   PMID:16645972;   PMID:16688677;   PMID:16769661;   PMID:16778342;   PMID:17366662;   PMID:17604599;   PMID:17646975;   PMID:17854740;   PMID:18034546;   PMID:18173611;   PMID:18413415;   PMID:18496682;   PMID:18663553;   PMID:18688040;   PMID:19169882;   PMID:19190124;   PMID:19344337;   PMID:19581389;   PMID:19715969;   PMID:19751817;   PMID:19770782;   PMID:7496341;   PMID:7676489;   PMID:8610393;   PMID:9075844;   PMID:9123314;   PMID:9625011;   PMID:9777697;   Patent:DE2854439;   Patent:US4284786;   Reaxys:4323174;   Wikipedia:Leflunomide


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      CHEBI ontology 19874
        role 19844
          biological role 19842
            immunomodulator 15067
              immunosuppressive agent 13934
                leflunomide 2625
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      CHEBI ontology 19874
        subatomic particle 19872
          composite particle 19872
            hadron 19872
              baryon 19872
                nucleon 19872
                  atomic nucleus 19872
                    atom 19872
                      main group element atom 19811
                        p-block element atom 19811
                          carbon group element atom 19751
                            carbon atom 19748
                              organic molecular entity 19748
                                heteroorganic entity 19505
                                  organochalcogen compound 19268
                                    organooxygen compound 19184
                                      carbon oxoacid 18654
                                        carboxylic acid 18651
                                          carboacyl group 17694
                                            univalent carboacyl group 17694
                                              carbamoyl group 17545
                                                carboxamide 17545
                                                  monocarboxylic acid amide 15727
                                                    leflunomide 2625
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