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aceclidine   Click here for help

GtoPdb Ligand ID: 14102

Synonyms: ±aceclidine | LINZ-101 | LINZ101 | racemic aceclidine | VIZZ®
Approved drug
aceclidine is an approved drug
Compound class: Synthetic organic
Comment: The INN aceclidine refers to the racemic mixture of (-)-aceclidine and (+)-aceclidine. We represent this here with the 'flat' structure. Aceclidine is an agonist at muscarinic acetylcholine GPCRs.
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Click here for structure editor
Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 29.54
Molecular weight 169.22
XLogP 0.66
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES CC(=O)OC1CN2CCC1CC2
Isomeric SMILES CC(=O)OC1CN2CCC1CC2
InChI InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
InChI Key WRJPSSPFHGNBMG-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes. US FDA (2025)
IUPAC Name Click here for help
1-azabicyclo[2.2.2]octan-3-yl acetate
International Nonproprietary Names Click here for help
INN number INN
1367 aceclidine
Synonyms Click here for help
±aceclidine | LINZ-101 | LINZ101 | racemic aceclidine | VIZZ®
Database Links Click here for help
BindingDB Ligand 50034625
CAS Registry No. 827-61-2 (source: WHO INN record)
ChEBI CHEBI:93847
ChEMBL Ligand CHEMBL20835
DrugBank Ligand DB13262
GtoPdb PubChem SID 518520729
PubChem CID 1979
Search Google for chemical match using the InChIKey WRJPSSPFHGNBMG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WRJPSSPFHGNBMG
Search PubMed clinical trials aceclidine
Search PubMed titles aceclidine
Search PubMed titles/abstracts aceclidine
UniChem Compound Search for chemical match using the InChIKey WRJPSSPFHGNBMG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WRJPSSPFHGNBMG-UHFFFAOYSA-N