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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: Beilstein:4323174;   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 19922
        role 19894
          biological role 19864
            immunomodulator 15057
              immunosuppressive agent 13937
                leflunomide 2623
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      CHEBI ontology 19922
        subatomic particle 19892
          composite particle 19892
            hadron 19920
              baryon 19892
                nucleon 19920
                  atomic nucleus 19892
                    atom 19892
                      main group element atom 19866
                        p-block element atom 19866
                          carbon group element atom 19805
                            carbon atom 19802
                              organic molecular entity 19775
                                heteroorganic entity 19556
                                  organochalcogen compound 19315
                                    organooxygen compound 19205
                                      carbon oxoacid 18694
                                        carboxylic acid 18691
                                          carboacyl group 17723
                                            univalent carboacyl group 17723
                                              carbamoyl group 17576
                                                carboxamide 17576
                                                  monocarboxylic acid amide 15748
                                                    leflunomide 2623
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