ID8

2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID

Created: 2010-07-30
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count34
Aromatic Bond Count12
2D diagram of ID8

Chemical Component Summary

Name2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID
SynonymsMEFENAMIC ACID
Systematic Name (OpenEye OEToolkits)2-[(2,3-dimethylphenyl)amino]benzoic acid
FormulaC15 H15 N O2
Molecular Weight241.285
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c2c(Nc1cccc(c1C)C)cccc2
SMILESCACTVS3.352Cc1cccc(Nc2ccccc2C(O)=O)c1C
SMILESOpenEye OEToolkits1.6.1Cc1cccc(c1C)Nc2ccccc2C(=O)O
Canonical SMILESCACTVS3.352 Cc1cccc(Nc2ccccc2C(O)=O)c1C
Canonical SMILESOpenEye OEToolkits1.6.1 Cc1cccc(c1C)Nc2ccccc2C(=O)O
InChIInChI1.03 InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyInChI1.03 HYYBABOKPJLUIN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB00784 
NameMefenamic acid
Groups approved
DescriptionA non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.
Synonyms
  • N-2,3-xylylanthranilic acid
  • Acidum mefenamicum
  • Acide méfénamique
  • Mefenamic acid
  • ácido mefenámico
Brand Names
  • Mefenamic Acid
  • Mefenamic
  • PMS-mefenamic Acid
  • Mefenamic acid
  • Mefenamic-Acid
IndicationFor the treatment of rheumatoid arthritis, osteoarthritis, dysmenorrhea, and mild to moderate pain, inflammation, and fever.
Categories
  • Acids, Carbocyclic
  • Agents causing hyperkalemia
  • Agents that produce hypertension
  • Amines
  • Aminobenzoates
ATC-CodeM01AG01
CAS number61-68-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Prostaglandin G/H synthase 2MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...unknowninhibitor
Prostaglandin G/H synthase 1MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...unknowninhibitor
Cytochrome P450 2C9MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI...unknownsubstrate,inhibitor
Cytochrome P450 1A2MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...unknownsubstrate,inhibitor
UDP-glucuronosyltransferase 1-9MACTGWTSPLPLCVCLLLTCGFAEAGKLLVVPMDGSHWFTMRSVVEKLIL...unknowninhibitor
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 CHEMBL686
PubChem 4044
ChEMBL CHEMBL686
ChEBI CHEBI:6717
CCDC/CSD EXAQOK, UZUZAS, UZUYUL, XOWKEB, AFONUH, AFONIV, AFONOB, XYANAC03, UZUYIZ, ZAZGAK, UZUYIZ01, XYANAC, UZUZEW, XYANAC06, XOWKEB01, AFOPAP, VUSJOL, XYANAC07, MUPNEQ01, XYANAC08, ETEFAN, EXAQOK01
COD 2107999, 4512414, 2107998, 2107996, 2107997, 2108000