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CHEBI:177871 - brequinar sodium

Default Structure
ChEBI IDCHEBI:177871
ChEBI Namebrequinar sodium
Stars
DefinitionAn organic sodium salt of brequinar.
Last Modified18 August 2021
SubmitterAdnan
DownloadsMolfile
FormulaC23H14F2NO2.Na
Net Charge0
Average Mass397.356
Monoisotopic Mass397.08903
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-].[Na+]
InChIInChI=1S/C23H15F2NO2.Na/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);/q;+1/p-1
InChIKeyPZOHOALJQOFNTB-UHFFFAOYSA-M
Roles Classification
Biological Roles:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
pyrimidine synthesis inhibitor  A pathway inhibitor that inhibits the synthesis of pyrimidine.
antimetabolite  A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor  An EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor that interferes with the action of dihydroorotate dehydrogenase (quinone), EC 1.3.5.2.
antiviral agent  A substance that destroys or inhibits replication of viruses.
Applications:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
brequinar sodium (CHEBI:177871) has part brequinar(1−) (CHEBI:177870)
brequinar sodium (CHEBI:177871) has role anticoronaviral agent (CHEBI:149553)
brequinar sodium (CHEBI:177871) has role antimetabolite (CHEBI:35221)
brequinar sodium (CHEBI:177871) has role antineoplastic agent (CHEBI:35610)
brequinar sodium (CHEBI:177871) has role antiviral agent (CHEBI:22587)
brequinar sodium (CHEBI:177871) has role EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor (CHEBI:77103)
brequinar sodium (CHEBI:177871) has role immunosuppressive agent (CHEBI:35705)
brequinar sodium (CHEBI:177871) has role pyrimidine synthesis inhibitor (CHEBI:68543)
brequinar sodium (CHEBI:177871) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 6-fluoro-2-(2'-fluoro[biphenyl]-4-yl)-3-methylquinoline-4-carboxylate
Synonyms  Source
6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methyl-4-quinoline-carboxylic acid sodium saltChEBI
Brequinar sodiumChEMBL
brequinar sodium saltChemIDplus
DUP 785ChemIDplus
DUP-785ChEBI
NSC 368390ChemIDplus
Manual XrefsDatabases
51421ChemSpider
D03154KEGG DRUG
DBSALT002498DrugBank
Registry NumbersSources
CAS:96201-88-6ChemIDplus
Citations