Pridopidine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Pridopidine
DrugBank Accession Number
DB11947
Background

Pridopidine has been used in trials studying the treatment of Huntington's Disease.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 281.41
Monoisotopic: 281.144950159
Chemical Formula
C15H23NO2S
Synonyms
  • Pridopidine
External IDs
  • ACR16

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Pridopidine HydrochlorideQH6KD74EGF882737-42-0YGRHOYQMBLLGEV-UHFFFAOYSA-N

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Phenylpiperidines
Direct Parent
Phenylpiperidines
Alternative Parents
Benzenesulfonyl compounds / Aralkylamines / Sulfones / Trialkylamines / Azacyclic compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Amine / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Benzenesulfonyl group / Benzenoid / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound / Organic oxide
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
HD4TW8S2VK
CAS number
346688-38-8
InChI Key
YGKUEOZJFIXDGI-UHFFFAOYSA-N
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
IUPAC Name
4-(3-methanesulfonylphenyl)-1-propylpiperidine
SMILES
CCCN1CCC(CC1)C1=CC=CC(=C1)S(C)(=O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0256771
PubChem Compound
9795739
PubChem Substance
347828273
ChemSpider
7971505
BindingDB
50308028
ChEMBL
CHEMBL596802
ZINC
ZINC000022063703
PharmGKB
PA166115441
Wikipedia
Pridopidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentHuntington's Disease (HD)1
3CompletedTreatmentHuntington's Disease (HD)1
2CompletedTreatmentHuntington's Disease (HD)3
2TerminatedTreatmentHuntington's Disease (HD)1
2TerminatedTreatmentParkinson's Disease (PD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.045 mg/mLALOGPS
logP2.55ALOGPS
logP2.18Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)19.7Chemaxon
pKa (Strongest Basic)8.03Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area37.38 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity80.05 m3·mol-1Chemaxon
Polarizability32.23 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0v4j-4960000000-39542056ea95c3024c6c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-d25ac46385a7ba714198
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-2c66ed3420a8f38ce3d4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0190000000-ff1552184375080c648e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-de4a6664edb7a5603aec
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-6090000000-57377cb5bc6f04f78841
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0005-3920000000-0a3642293ef90896176c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-176.7222579
predicted
DarkChem Lite v0.1.0
[M-H]-162.95738
predicted
DeepCCS 1.0 (2019)
[M+H]+177.0114579
predicted
DarkChem Lite v0.1.0
[M+H]+165.31541
predicted
DeepCCS 1.0 (2019)
[M+Na]+177.1653579
predicted
DarkChem Lite v0.1.0
[M+Na]+171.40868
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:03 / Updated at December 13, 2022 10:46