[3H]iperoxo   Click here for help

GtoPdb Ligand ID: 12486

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: [3H]iperoxo is a radiolabelled (tritiated) version of the muscarinic acetylcholine receptor superagonist iperoxo [1]. It binds to all of the five muscarinic receptor subtypes in radioagonist displacement and saturation binding studies. Affinities for the M2 and M4 receptors were determined to be in the picomolar range.
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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 3
Topological polar surface area 35.26
Molecular weight 183.23
XLogP 0.72
No. Lipinski's rules broken 0
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Canonical SMILES C[N+]([3H])(C)CC#CCOC1=NOCC1
Isomeric SMILES [3H][N+](C)(C)CC#CCOC1=NOCC1
InChI InChI=1S/C9H14N2O2/c1-11(2)6-3-4-7-12-9-5-8-13-10-9/h5-8H2,1-2H3/p+1/i/hT
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
M2 receptor Hs Agonist Agonist 10.1 pKd - 1
pKd 10.1 (Kd 8x10-11 M) [1]
M4 receptor Hs Agonist Agonist 10.1 pKd - 1
pKd 10.1 (Kd 8x10-11 M) [1]
M1 receptor Hs Agonist Agonist 8.7 pKd - 1
pKd 8.7 [1]
M3 receptor Hs Agonist Agonist 8.4 pKd - 1
pKd 8.4 (Kd 3.98x10-9 M) [1]
M5 receptor Hs Agonist Agonist 8.3 pKd - 1
pKd 8.3 (Kd 5x10-9 M) [1]