CHEBI:177871 - brequinar sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name brequinar sodium
ChEBI ID CHEBI:177871
Definition An organic sodium salt of brequinar.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H14F2NO2.Na
Net Charge 0
Average Mass 397.357
Monoisotopic Mass 397.08903
InChI InChI=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
InChIKey PZOHOALJQOFNTB-UHFFFAOYSA-M
SMILES [Na+].CC1=C(C([O-])=O)C2=C(C=CC(F)=C2)N=C1C1=CC=C(C=C1)C1=CC=CC=C1F
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
antiviral agent
A substance that destroys or inhibits replication of viruses.
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.
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.
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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methyl-4-quinoline-carboxylic acid sodium salt ChEBI
brequinar sodium salt ChemIDplus
DUP 785 ChemIDplus
DUP-785 ChEBI
NSC 368390 ChemIDplus
NSC-368390 ChEBI
sodium 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylate IUPAC
Manual Xrefs Databases
51421 ChemSpider
D03154 KEGG DRUG
DBSALT002498 DrugBank
View more database links
Registry Number Type Source
96201-88-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
18 August 2021