BHA

2-HYDROXY-4-AMINOBENZOIC ACID

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

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5 entries where BHA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-HYDROXY-4-AMINOBENZOIC ACID
Systematic Name (OpenEye OEToolkits)	4-amino-2-hydroxy-benzoic acid
Formula	C₇ H₇ N O₃
Molecular Weight	153.135
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1ccc(cc1O)N
SMILES	CACTVS	3.341	Nc1ccc(C(O)=O)c(O)c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1N)O)C(=O)O
Canonical SMILES	CACTVS	3.341	Nc1ccc(C(O)=O)c(O)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1N)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
InChIKey	InChI	1.03	WUBBRNOQWQTFEX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00233
Name	Aminosalicylic acid
Groups	approved
Description	An antitubercular agent often administered in association with isoniazid. The sodium salt of the drug is better tolerated than the free acid.
Synonyms	Sodium aminosalicylate dihydrate Aminosalicylate sodium anhydrous 4-aminosalicylic acid PAS p-aminosalicylic acid Calcium aminosalicylate trihydrate para-aminosalicylic acid para-amino salicylic acid Aminosalicylic acid 4-amino-2-hydroxybenzoic acid 4-aminosalicylate Aminosalicylate calcium Potassium aminosalicylate
Brand Names	Paser Nemasol Sodium Tab 500mg Granupas
Indication	For the treatment of tuberculosis
Categories	Acids, Carbocyclic Aminobenzoates Aminosalicylic Acid and Derivatives Aminosalicylic Acids Anti-Bacterial Agents Anti-Infective Agents Antiinfectives for Systemic Use Antimycobacterials Benzene Derivatives Benzoates Drugs for Treatment of Tuberculosis Hydroxy Acids Hydroxybenzoates Methemoglobinemia Associated Agents para-Aminobenzoates Phenols Salicylates
ATC-Code	J04AA02 J04AA03 J04AA01
CAS number	65-49-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prostaglandin G/H synthase 2	MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...	unknown	inhibitor
Inhibitor of nuclear factor kappa-B kinase subunit alpha	MERPPGLRPGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLEL...	unknown	inhibitor
Arachidonate 5-lipoxygenase	MPSYTVTVATGSQWFAGTDDYIYLSLVGSAGCSEKHLLDKPFYNDFERGA...	unknown	inhibitor
Group IIE secretory phospholipase A2	MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGG...	unknown	unknown
Myeloperoxidase	MGVPFFSSLRCMVDLGPCWAGGLTAEMKLLLALAGLLAILATPQPSEGAA...	unknown	inhibitor

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 Name	Reference
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