NAV

Eliprodil

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

Identification

Generic Name
Eliprodil
DrugBank Accession Number
DB12869
Background

Eliprodil has been used in trials studying the treatment of Parkinson Disease and Movement Disorders.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 347.86
Monoisotopic: 347.1452202
Chemical Formula
C20H23ClFNO
Synonyms
  • Eliprodil
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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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Benzylpiperidines
Direct Parent
4-benzylpiperidines
Alternative Parents
Fluorobenzenes / Chlorobenzenes / Aralkylamines / Aryl fluorides / Aryl chlorides / Trialkylamines / Secondary alcohols / 1,2-aminoalcohols / Azacyclic compounds / Organopnictogen compounds
show 4 more
Substituents
1,2-aminoalcohol / 4-benzylpiperidine / Alcohol / Amine / Aralkylamine / Aromatic alcohol / Aromatic heteromonocyclic compound / Aryl chloride / Aryl fluoride / Aryl halide
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
YW62A6TW29
CAS number
119431-25-3
InChI Key
GGUSQTSTQSHJAH-UHFFFAOYSA-N
InChI
InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
IUPAC Name
1-(4-chlorophenyl)-2-{4-[(4-fluorophenyl)methyl]piperidin-1-yl}ethan-1-ol
SMILES
OC(CN1CCC(CC2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1

References

General References
Not Available
PubChem Compound
60703
PubChem Substance
347829027
ChemSpider
54708
BindingDB
50079387
ChEBI
91784
ChEMBL
CHEMBL28564
Wikipedia
Eliprodil

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMotor Skills Disorders / Parkinson'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 Solubility0.00558 mg/mLALOGPS
logP4.65ALOGPS
logP4.75Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)14.07Chemaxon
pKa (Strongest Basic)8.88Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity96.97 m3·mol-1Chemaxon
Polarizability37.27 Å3Chemaxon
Number of Rings3Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-9215a40590ecd4a5093a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004j-0009000000-68d304e397714125b58d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001j-0109000000-c68ba765d4d11ca5082e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-053r-9464000000-09ec17fea581f8cba88d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-002g-2984000000-383c76fe7f074b5391fc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-bb76a725ee11c1913baf
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]-181.25314
predicted
DeepCCS 1.0 (2019)
[M+H]+183.61115
predicted
DeepCCS 1.0 (2019)
[M+Na]+190.10725
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:53 / Updated at February 21, 2021 18:54