salicylic acid   Click here for help

GtoPdb Ligand ID: 4306

Synonyms: Bazuka Extra Strength Gel® | salicylate
Approved drug PDB Ligand Immunopharmacology Ligand
salicylic acid is an approved drug
Comment: Chemically, salicylic acid is a monohydroxybenzoic acid, a type of phenolic acid and a beta hydroxy acid. It was oridinally isolated from the inner bark of the willow tree. Clinically, it is an important active metabolite of aspirin.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 57.53
Molecular weight 138.03
XLogP 1.66
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)c1ccccc1O
Isomeric SMILES OC(=O)c1ccccc1O
InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
1. Voilley N, de Weille J, Mamet J, Lazdunski M. (2001)
Nonsteroid anti-inflammatory drugs inhibit both the activity and the inflammation-induced expression of acid-sensing ion channels in nociceptors.
J Neurosci, 21 (20): 8026-33. [PMID:11588175]
2. Xu XM, Sansores-Garcia L, Chen XM, Matijevic-Aleksic N, Du M, Wu KK. (1999)
Suppression of inducible cyclooxygenase 2 gene transcription by aspirin and sodium salicylate.
Proc Natl Acad Sci USA, 96 (9): 5292-7. [PMID:10220459]