ethanol   Click here for help

GtoPdb Ligand ID: 2299

PDB Ligand
Comment: The US FDA granted approval for the use of an injectable formulation of ethanol (alcohol) in dextrose solution, but marketing has been discontinued.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 20.23
Molecular weight 46.04
XLogP -0.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCO
Isomeric SMILES CCO
InChI InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT3A Mm Allosteric modulator Positive - - 3x10-2 - 3x10-1 2-4,8
Conc range: 3x10-2 - 3x10-1 M increased channel activation rate, decreased desensitisation rate, decreased deactivation rate. [2-4,8]
Glycine Receptor (All subtypes) Hs Allosteric modulator Potentiation - - 1x10-2 - 2x10-1 7
Conc range: 1x10-2 - 2x10-1 M Potentiation of weakly activated GlyRs only [7]
Kir3.2 N/A Activator Agonist - - 1x10-2 - 2x10-1 1,5-6
Conc range: 1x10-2 - 2x10-1 M [1,5-6]
Voltage: -120.0 – -70.0 mV
Kir3.4 Mm Activator - - - 1x10-2 - 2x10-1 5-6
Conc range: 1x10-2 - 2x10-1 M [5-6]
Voltage: -120.0 – -70.0 mV
Kir3.1 Mm Activator Agonist - - 1x10-2 5-6
Conc range: 1x10-2 M [5-6]
Voltage: Physiological
Ligand mentioned in the following text fields