BRF

6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID

Created:	2004-01-08
Last modified:	2011-06-04

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1 entries where BRF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	25

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Chemical Component Summary
Name	6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid
Formula	C₂₃ H₁₅ F₂ N O₂
Molecular Weight	375.368
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1ccccc1c4ccc(c2nc3ccc(F)cc3c(c2C)C(=O)O)cc4
SMILES	CACTVS	3.341	Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4F
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O
Canonical SMILES	CACTVS	3.341	Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4F
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O
InChI	InChI	1.03	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	InChI	1.03	PHEZJEYUWHETKO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03523
Name	Brequinar
Groups	experimental
Synonyms	Brequinar Brequinar sodium
Categories	Antineoplastic Agents Benzene Derivatives Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Immunologic Factors Immunosuppressive Agents Oxidoreductases Quinolines
CAS number	96187-53-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dihydroorotate dehydrogenase (quinone), mitochondrial	MAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLD...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682