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pridopidine   Click here for help

GtoPdb Ligand ID: 13833

Synonyms: ACR-16 | ACR16 | compound 12b [PMID: 20155917]
Compound class: Synthetic organic
Comment: Pridopidine (ACR16) is an orally bioavailable small molecule investigational drug that was discovered to stabilise dopaminergic signalling [3]. It has activity as a Sigma-1 receptor (SIGMAR1) agonist [4].
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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species
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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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 4
Topological polar surface area 45.76
Molecular weight 281.42
XLogP 1.52
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 CCCN1CCC(CC1)C2=CC=CC(=C2)S(=O)(=O)C
Isomeric SMILES CCCN1CCC(CC1)C2=CC(=CC=C2)S(=O)(=O)C
InChI InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3
InChI Key YGKUEOZJFIXDGI-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/)
No information available.
Summary of Clinical Use Click here for help
Pridopidine (ACR16) is a clinical candidate for the treatment of Huntington's disease (HD) and amyotrophic lateral sclerosis (ALS).
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT00724048 A Study of Pridopidine (ACR16) for the Treatment of Participants With Huntington's Disease Phase 2 Interventional Teva Branded Pharmaceutical Products R&D, Inc.
NCT00665223 A Study of Treatment With Pridopidine (ACR16) in Participants With Huntington's Disease Phase 3 Interventional Teva Branded Pharmaceutical Products R&D, Inc. 1
NCT01306929 Open-label Extension Study of Pridopidine (ACR16) in the Symptomatic Treatment of Huntington Disease Phase 2 Interventional Prilenia 2
NCT04615923 HEALEY ALS Platform Trial - Regimen D Pridopidine Phase 2/Phase 3 Interventional Massachusetts General Hospital In this study, known as the HEALEY ALS platform trial, pridopidine did not significantly improve function and/or survival in patients with ALS compared to placebo. 2,5