acesulfame   Click here for help

GtoPdb Ligand ID: 12460

Synonyms: acetosulfam
PDB Ligand
Compound class: Synthetic organic
Comment: Acesulfame is used as a sweetening agent. Acesulfame K is the potassium salt.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 80.85
Molecular weight 163.15
XLogP -1.51
No. Lipinski's rules broken 0
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Canonical SMILES CC1=CC(=O)NS(=O)(=O)O1
Isomeric SMILES CC1=CC(=O)NS(=O)(=O)O1
InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TAS2R31 Hs Agonist Agonist 2.6 pEC50 - 1
pEC50 2.6 (EC50 2.5x10-3 M) [1]
TAS2R43 Hs Agonist Agonist 2.5 pEC50 - 1
pEC50 2.5 (EC50 3.1x10-3 M) [1]