JMS

2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid

Created: 2011-03-22
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count12
2D diagram of JMS

Chemical Component Summary

Name2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid
Synonymsmeclofenamic acid
Systematic Name (OpenEye OEToolkits)2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid
FormulaC14 H11 Cl2 N O2
Molecular Weight296.149
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Clc2ccc(c(Cl)c2Nc1ccccc1C(=O)O)C
SMILESCACTVS3.370Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
SMILESOpenEye OEToolkits1.7.0Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl
Canonical SMILESCACTVS3.370 Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl
InChIInChI1.03 InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeyInChI1.03 SBDNJUWAMKYJOX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB00939 
NameMeclofenamic acid
Groups
  • approved
  • vet_approved
DescriptionA non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis.
Synonyms
  • Meclofenamic acid
  • N-(2,6-dichloro-m-tolyl)anthranilic acid
  • N-(3-methyl-2,6-dichlorophenyl)anthranilic acid
  • Acidum meclofenamicum
  • Meclofenamate
Brand NamesMeclofenamate Sodium
IndicationFor the relief of mild to moderate pain, for the treatment of primary dysmenorrhea and for the treatment of idiopathic heavy menstrual blood loss. Also for relief of the signs and symptoms of acute and chronic rheumatoid arthritis and osteoarthritis.
Categories
  • Acids, Carbocyclic
  • Agents causing hyperkalemia
  • Agents that produce hypertension
  • Aminobenzoates
  • Analgesics
ATC-Code
  • M01AG04
  • M02AA18
CAS number644-62-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Prostaglandin G/H synthase 1MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...unknowninhibitor
Prostaglandin G/H synthase 2MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...unknowninhibitor
Arachidonate 5-lipoxygenaseMPSYTVTVATGSQWFAGTDDYIYLSLVGSAGCSEKHLLDKPFYNDFERGA...unknowninhibitor
Potassium voltage-gated channel subfamily KQT member 2MVQKSRNGGVYPGPSGEKKLKVGFVGLDPGAPDSTRDGALLIAGSEAPKR...unknownother
Potassium voltage-gated channel subfamily KQT member 3MGLKARRAAGAAGGGGDGGGGGGGAANPAGGDAAAAGDEERKVGLAPGDV...unknownother
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 CHEMBL509
PubChem 4037
ChEMBL CHEMBL509
ChEBI CHEBI:6710
CCDC/CSD SAXPAK, SAXPEO
COD 4505962