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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:brequinar
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Accession:CHEBI:177387 term browser browse the term
Definition:A quinolinemonocarboxylic acid that is quinoline substituted by 2'-fluoro[1,1'-biphenyl]-4-yl, methyl, carboxy and fluoro groups at positions 2, 3, 4, and 6, respectively. It is an inhibitor of dihydroorotate dehydrogenase, an enzyme that is required for de novo pyrimidine biosynthesis. The compound exhibits antineoplastic and antiviral properties.
Synonyms:exact_synonym: 6-fluoro-2-(2'-fluoro[biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid
 related_synonym: 6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methylquinoline-4-carboxylic acid;   6-fluoro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid;   6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid;   6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid;   Formula=C23H15F2NO2;   InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28);   InChIKey=PHEZJEYUWHETKO-UHFFFAOYSA-N;   SMILES=CC1=C(C(O)=O)C2=C(C=CC(F)=C2)N=C1C1=CC=C(C=C1)C1=CC=CC=C1F;   biphenquinate;   brequinarum
 alt_id: CHEBI:41224
 xref: CAS:96187-53-0;   Chemspider:51422;   DrugBank:DB03523;   LINCS:LSM-45952
 xref_mesh: MESH:C046943
 xref: PDBeChem:BRF;   PMID:20606073;   PMID:21840180;   PMID:24013224;   PMID:28833638;   PMID:30663496;   PMID:31146110;   PMID:31557612;   PMID:31635418;   PMID:33007394;   PMID:33080984;   PMID:33344900;   PMID:33437396;   PMID:33584854;   PMID:4053030;   PMID:8132203;   Patent:WO9742953;   Reaxys:8354757;   Wikipedia:Brequinar
 cyclic_relationship: is_conjugate_acid_of CHEBI:177870



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brequinar term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Dhodh dihydroorotate dehydrogenase (quinone) multiple interactions
decreases activity
EXP
ISO
brequinar inhibits the reaction [DHODH protein results in increased metabolism of 4,5-dihydroorotic acid]; brequinar inhibits the reaction [DHODH protein results in increased metabolism of Quinones]; brequinar inhibits the reaction [DHODH protein results in increased oxidation of 4,5-dihydroorotic acid]
brequinar results in decreased activity of DHODH protein
CTD PMID:9776318 PMID:9802339 PMID:10658902 NCBI chr19:37,551,858...37,573,327
Ensembl chr19:37,558,177...37,591,654
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19759
      biological role 19759
        antimicrobial agent 17402
          antiviral agent 10293
            brequinar 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19809
      composite particle 19809
        hadron 19809
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19706
                    p-block element atom 19706
                      carbon group element atom 19628
                        carbon atom 19618
                          organic molecular entity 19618
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18668
                                    carbonyl compound 18668
                                      carboxylic acid 18365
                                        aromatic carboxylic acid 11711
                                          quinolinemonocarboxylic acid 98
                                            brequinar 1
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