Molecular Identity
Brequinar
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid
PubChem CID: 57030
Brequinar is 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. It has a role as an anticoronaviral agent, an antiviral agent, an antimetabolite, an antineoplastic agent, an immunosuppressive agent, a pyrimidine synthesis inhibitor and an EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor. It is a member of biphenyls, a monocarboxylic acid, a quinolinemonocarboxylic acid and a member of monofluorobenzenes. It is a conjugate acid of a brequinar(1-).
2D Structure
Properties
C23H15F2NO2
Molecular Formula
375.40
Molecular Weight
g/mol
375.1071
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
50.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
551
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Brequinar96187-53-0brequinarum6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acidNSC 368390DUP7855XL19F49H6NSC368390NSC-368390CHEBI:177387DTXSID00242165Bipenquinate4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro(1,1'-biphenyl)-4-yl)-3-methyl-4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-6-fluoro-2-(4-(2-fluorophenyl)phenyl)-3-methylquinoline-4-carboxylic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Brequinar
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