3,5-dihydroxybenzoic acid   Click here for help

GtoPdb Ligand ID: 5783

Synonyms: α-resorcylic acid | 5-carboxyresorcinol | NSC 22948
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 77.76
Molecular weight 154.03
XLogP 0.82
No. Lipinski's rules broken 0
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Canonical SMILES Oc1cc(O)cc(c1)C(=O)O
Isomeric SMILES Oc1cc(O)cc(c1)C(=O)O
InChI InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
HCA1 receptor Mm Agonist Full agonist 3.8 pEC50 - 1
pEC50 3.8 (EC50 1.72x10-4 M) [1]
HCA1 receptor Hs Agonist Full agonist 3.7 pEC50 - 1
pEC50 3.7 (EC50 1.91x10-4 M) [1]