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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:febuxostat
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Accession:CHEBI:31596 term browser browse the term
Definition:A 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout.
Synonyms:exact_synonym: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
 related_synonym: 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;   Adenuric;   Donifoxate;   Febuday;   Feburic;   Formula=C16H16N2O3S;   Goturic;   Goutex;   InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20);   InChIKey=BQSJTQLCZDPROO-UHFFFAOYSA-N;   SMILES=C1(=CC(=C(C=C1)OCC(C)C)C#N)C2=NC(=C(S2)C(=O)O)C;   TEI 6720;   TMX-67;   Uloric;   Zurig;   febuxostatum
 alt_id: CHEBI:45943
 xref: CAS:144060-53-7;   DrugBank:DB04854;   Drug_Central:1137;   KEGG:D01206;   LINCS:LSM-3064
 xref_mesh: MESH:D000069465
 xref: PDBeChem:TEI;   PMID:25724536;   PMID:30844048;   PMID:30919894;   PMID:31267805;   PMID:31332638;   PMID:31335677;   PMID:31378626;   PMID:31447893;   PMID:31449565;   PMID:31499267;   PMID:31531831;   PMID:31560952;   Wikipedia:Febuxostat


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  CHEBI ontology 494
    chemical entity 501
      group 488
        pseudohalo group 2
          cyano group 2
            nitrile 2
              febuxostat 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            organic molecule 466
                              organic cyclic compound 449
                                organic heterocyclic compound 419
                                  heteroarene 197
                                    monocyclic heteroarene 171
                                      azole 171
                                        thiazoles 158
                                          1,3-thiazoles 156
                                            1,3-thiazolemonocarboxylic acid 0
                                              febuxostat 0
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