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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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count46
Aromatic Bond Count25
2D diagram of BRF

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Chemical Component Summary

Name6-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
FormulaC23 H15 F2 N O2
Molecular Weight375.368
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccccc1c4ccc(c2nc3ccc(F)cc3c(c2C)C(=O)O)cc4
SMILESCACTVS3.341Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4F
SMILESOpenEye OEToolkits1.5.0Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O
Canonical SMILESCACTVS3.341 Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4F
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O
InChIInChI1.03 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)
InChIKeyInChI1.03 PHEZJEYUWHETKO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03523 
NameBrequinar
Groups experimental
Synonyms
  • Brequinar sodium
  • Brequinar
Categories
  • Antineoplastic Agents
  • Benzene Derivatives
  • Enzyme Inhibitors
  • Heterocyclic Compounds, Fused-Ring
  • Immunologic Factors
CAS number96187-53-0

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Dihydroorotate dehydrogenase (quinone), mitochondrialMAWRHLKKRAQDAVIILGGGGLLFASYLMATGDERFYAEHLMPTLQGLLD...unknownmodulator
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

Related Resource References

Resource NameReference
Pharos CHEMBL38434
PubChem 57030
ChEMBL CHEMBL38434