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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 19917
        role 19887
          biological role 19885
            immunomodulator 15075
              immunosuppressive agent 13938
                leflunomide 2625
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      CHEBI ontology 19917
        subatomic particle 19915
          composite particle 19915
            hadron 19915
              baryon 19915
                nucleon 19915
                  atomic nucleus 19915
                    atom 19915
                      main group element atom 19855
                        p-block element atom 19855
                          carbon group element atom 19774
                            carbon atom 19790
                              organic molecular entity 19790
                                heteroorganic entity 19549
                                  organochalcogen compound 19309
                                    organooxygen compound 19204
                                      carbon oxoacid 18689
                                        carboxylic acid 18686
                                          carboacyl group 17723
                                            univalent carboacyl group 17704
                                              carbamoyl group 17574
                                                carboxamide 17574
                                                  monocarboxylic acid amide 15749
                                                    leflunomide 2625
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