propafenone   Click here for help

GtoPdb Ligand ID: 2561

Synonyms: Arythmol® | GNF-Pf-4594 | Rythmol®
Approved drug
propafenone is an approved drug (FDA (1989))
Compound class: Synthetic organic
Comment: Marketed formulations may contain propafenone hydrochloride (PubChem CID 36708).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 58.56
Molecular weight 341.2
XLogP 3.23
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O
Isomeric SMILES CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O
InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
InChI Key JWHAUXFOSRPERK-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
β2-adrenoceptor Hs Antagonist Antagonist 7.4 pKi - 1
pKi 7.4 (Ki 3.6x10-8 M) [1]
β1-adrenoceptor Primary target of this compound Hs Antagonist Antagonist 6.7 pKi - 1
pKi 6.7 (Ki 2.05x10-7 M) [1]
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Kv1.5 Hs Channel blocker - 4.4 pIC50 - 2
pIC50 4.4 [2]