(+)-aceclidine   Click here for help

GtoPdb Ligand ID: 286

Synonyms: S-(+)-aceclidine
Compound class: Synthetic organic
Comment: The INN-assigned compound aceclidine is a racemic mixture of two enantiomers: S(+)-aceclidine and R(-)-aceclidine. Note that ChEMBL represents this compound without the charge in the entry CHEMBL608828.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 30.74
Molecular weight 170.12
XLogP 0.5
No. Lipinski's rules broken 0
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Canonical SMILES CC(=O)OC1C[NH+]2CCC1CC2
Isomeric SMILES CC(=O)O[C@@H]1C[NH+]2CCC1CC2
InChI InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3/p+1/t9-/m1/s1
1. Ehlert FJ, Griffin MT, Glidden PF. (1996)
The interaction of the enantiomers of aceclidine with subtypes of the muscarinic receptor.
J Pharmacol Exp Ther, 279 (3): 1335-44. [PMID:8968358]
2. Griffin MT, Figueroa KW, Liller S, Ehlert FJ. (2007)
Estimation of agonist activity at G protein-coupled receptors: analysis of M2 muscarinic receptor signaling through Gi/o,Gs, and G15.
J Pharmacol Exp Ther, 321 (3): 1193-207. [PMID:17392404]