BHA

2-HYDROXY-4-AMINOBENZOIC ACID

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count18
Aromatic Bond Count6
2D diagram of BHA
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Chemical Component Summary

Name2-HYDROXY-4-AMINOBENZOIC ACID
Systematic Name (OpenEye OEToolkits)4-amino-2-hydroxy-benzoic acid
FormulaC7 H7 N O3
Molecular Weight153.135
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c1ccc(cc1O)N
SMILESCACTVS3.341Nc1ccc(C(O)=O)c(O)c1
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1N)O)C(=O)O
Canonical SMILESCACTVS3.341 Nc1ccc(C(O)=O)c(O)c1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c(cc1N)O)C(=O)O
InChIInChI1.03 InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
InChIKeyInChI1.03 WUBBRNOQWQTFEX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB00233 
NameAminosalicylic acid
Groups approved
DescriptionAn antitubercular agent often administered in association with isoniazid. The sodium salt of the drug is better tolerated than the free acid.
Synonyms
  • para-aminosalicylic acid
  • 4-aminosalicylate
  • 4-amino-2-hydroxybenzoic acid
  • Calcium aminosalicylate trihydrate
  • Aminosalicylate sodium anhydrous
Brand Names
  • Nemasol Sodium Tab 500mg
  • Granupas
  • Paser
IndicationFor the treatment of tuberculosis
Categories
  • Acids, Carbocyclic
  • Aminobenzoates
  • Aminosalicylic Acid and Derivatives
  • Aminosalicylic Acids
  • Anti-Bacterial Agents
ATC-Code
  • J04AA02
  • J04AA03
  • J04AA01
CAS number65-49-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Prostaglandin G/H synthase 1MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...unknownmodulator
Dihydrofolate reductaseMVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNL...unknownmodulator
Prostaglandin G/H synthase 2MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...unknowninhibitor
Inhibitor of nuclear factor kappa-B kinase subunit alphaMERPPGLRPGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLEL...unknowninhibitor
Polyunsaturated fatty acid 5-lipoxygenaseMPSYTVTVATGSQWFAGTDDYIYLSLVGSAGCSEKHLLDKPFYNDFERGA...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 CHEMBL1169
PubChem 4649
ChEMBL CHEMBL1169
ChEBI CHEBI:27565
CCDC/CSD URUDER, PAHHAK, URUDER01, PEXNAJ, FAYYAI, URUDER10, OFUYIZ, FAYXUB, URUDER02, FAYXOV, URUDER03, URUDER04, MOYZUX, XICRAE, URUDER06, URUDER05, CUKVEK, URUDER08, AMSALA01, URUDER07, YUJLOG01, LACWEU, AMSALA02, YUJLOG, BEYZAI, URUDER09, MABMUA, LACTAN, VUGMOZ, VATXOF, ICEBOK, COLKUL, OBOVAF, LACTUH, LACSUG, URUGIY, LACTER, LACWIY, LACTOB, VATXOF02, ZEQCEG, PEXPIT, LACTIV, AVEJOD
COD 1554036, 7206126, 7053091, 7206127, 7206128, 7206129, 4507570, 7206131, 7206130, 7206133, 7206132, 7208257, 7206134, 7206136