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Mesdopetam

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

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Identification

Generic Name
Mesdopetam
DrugBank Accession Number
DB16229
Background

Mesdopetam is under investigation in clinical trial NCT04435431 (A Clinical Study of Mesdopetam in Patients With Parkinson's Disease Experiencing Levodopa Induced Dyskinesia).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 275.34
Monoisotopic: 275.099142781
Chemical Formula
C12H18FNO3S
Synonyms
  • Mesdopetam
External IDs
  • IRL-790
  • IRL790
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
HD4QV8GX26
CAS number
1403894-72-3
InChI Key
OSBPYFBXSLJHCR-UHFFFAOYSA-N
InChI
InChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3
IUPAC Name
[2-(3-fluoro-5-methanesulfonylphenoxy)ethyl](propyl)amine
SMILES
CCCNCCOC1=CC(=CC(F)=C1)S(C)(=O)=O

References

General References
Not Available
ChemSpider
81367293

Clinical Trials

Clinical Trials
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2CompletedTreatmentParkinson's Disease (PD)2somestatusstop reasonjust information to hide
1, 2CompletedTreatmentParkinson's Disease (PD)1somestatusstop reasonjust information to hide

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 Solubility0.409 mg/mLALOGPS
logP1.65ALOGPS
logP1.31Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)16.15Chemaxon
pKa (Strongest Basic)9.65Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area55.4 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity68.74 m3·mol-1Chemaxon
Polarizability28.08 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-627695bf2709483050b5
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-2090000000-da02640619f9b5160d51
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-5900000000-ec4a9b84a1a687272d03
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002u-9640000000-a673fc6b529676fd5763
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014r-9200000000-3a38fa4630968390a20a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9200000000-6e60e91826586eaa69e9
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:16 / Updated at February 21, 2021 18:55