FLF

2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID

Created: 1999-07-08
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count12
2D diagram of FLF
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Chemical Component Summary

Name2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID
SynonymsFLUFENAMIC ACID
Systematic Name (OpenEye OEToolkits)2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
FormulaC14 H10 F3 N O2
Molecular Weight281.23
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O
SMILESCACTVS3.341OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F
Canonical SMILESCACTVS3.341 OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F
InChIInChI1.03 InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
InChIKeyInChI1.03 LPEPZBJOKDYZAD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02266 
NameFlufenamic acid
Groups approved
DescriptionAn anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16)
Synonyms
  • Acidum flufenamicum
  • ácido flufenámico
  • acide flufénamique
  • Flufenamic acid
Categories
  • Acids, Carbocyclic
  • Aminobenzoates
  • Anti-Inflammatory Agents
  • Antiinflammatory and Antirheumatic Products
  • Antiinflammatory and Antirheumatic Products, Non-Steroids
ATC-CodeM01AG03
CAS number530-78-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Prostaglandin G/H synthase 2MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...unknown
Prostaglandin G/H synthase 1MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...unknown
Aldo-keto reductase family 1 member C3MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHID...unknown
Androgen receptorMEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPP...unknown
Peroxisome proliferator-activated receptor alphaMVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFG...unknownactivator
View More
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 CHEMBL23588
PubChem 3371
ChEMBL CHEMBL23588
ChEBI CHEBI:42638
CCDC/CSD FPAMCA, FPAMCA19, FPAMCA18, FPAMCA20, ZIQDUA, FAQXAZ, FAQWUS, DARNOC, ZIQFEM02, FPAMCA16, FPAMCA17, FPAMCA11, ZIQFAI, FPAMCA21
COD 7216510, 4118082, 4118083, 7216511, 4118078, 4118080, 4118079