oxyphenonium   Click here for help

GtoPdb Ligand ID: 7257

Synonyms: oxyphenonium bromide
Approved drug
oxyphenonium is an approved drug
Compound class: Synthetic organic
Comment: Oxyphenonium is a synthetic anticholinergic drug with gastrointestinal antispasmodic and antisecretory action.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 46.53
Molecular weight 348.25
XLogP 3.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C
Isomeric SMILES CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C
InChI InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1
InChI Key GFRUPHOKLBPHTQ-UHFFFAOYSA-N
Bioactivity Comments
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.
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
M4 receptor Hs Antagonist Antagonist 9.8 pKi - 1
pKi 9.8 (Ki 1.45x10-10 M) [1]