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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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)
Bioactivity Comments
Although it is proposed that this chemical acts via inhibition of the COX enzymes, we have been unable to find publicly available bioactivity data for this drug at its proposed molecular target(s) to substantiate its MMOA, and have therefore not tagged a primary drug target.
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
ASIC3 Hs Channel blocker - 3.6 pIC50 - 1
pIC50 3.6 (IC50 2.6x10-4 M) sustained component [1]