NAV

Leriglitazone

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

Identification

Generic Name
Leriglitazone
DrugBank Accession Number
DB15021
Background

Leriglitazone is under investigation in clinical trial NCT03917225 (A Clinical Study to Evaluate the Effect of MIN-102 on the Progression of Friedreich's Ataxia in Male and Female Patients).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 372.438
Monoisotopic: 372.114377828
Chemical Formula
C19H20N2O4S
Synonyms
  • 2,4-thiazolidinedione, 5-((4-(2-(5-(1-hydroxyethyl)-2-pyridinyl)ethoxy)phenyl)methyl)-
  • All-ambo-5-((4-(2-(5-(1-hydroxyethyl)pyridin-2-yl)ethoxy)phenyl)methyl)-1,3-thiazole-2,4(3H,5H)-dione
  • Hydroxypioglitazone
  • Leriglitazone
External IDs
  • MIN-102
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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 phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Not Available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds / Alkyl aryl ethers / Thiazolidinediones / Pyridines and derivatives / Dicarboximides / Heteroaromatic compounds / Organic carbonic acids and derivatives / Thiocarbamic acid derivatives / Secondary alcohols / Azacyclic compounds
show 6 more
Substituents
Alcohol / Alkyl aryl ether / Aromatic alcohol / Aromatic heteromonocyclic compound / Azacycle / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Ether
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
aromatic ether, pyridines, thiazolidenediones (CHEBI:82937)
Affected organisms
Not Available

Chemical Identifiers

UNII
K824X25AYA
CAS number
146062-44-4
InChI Key
OXVFDZYQLGRLCD-UHFFFAOYSA-N
InChI
InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)
IUPAC Name
5-[(4-{2-[5-(1-hydroxyethyl)pyridin-2-yl]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILES
CC(O)C1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1

References

General References
Not Available
Human Metabolome Database
HMDB0253285
ChemSpider
3360070
BindingDB
50530214
ChEBI
82937
ChEMBL
CHEMBL1267

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentCerebral Adrenoleukodystrophy (CALD)1
2Active Not RecruitingTreatmentCerebral Adrenoleukodystrophy (CALD)1
2CompletedTreatmentFriedreich's Ataxia1
2, 3Active Not RecruitingTreatmentAdrenoleukodystrophy (ALD)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 Solubility0.0213 mg/mLALOGPS
logP2.35ALOGPS
logP2.14Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)6.62Chemaxon
pKa (Strongest Basic)4.83Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area88.52 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity98.98 m3·mol-1Chemaxon
Polarizability39.06 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0a59-0509000000-fad23706d31967e3d127
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0109000000-a898abc53f93f112716f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ac0-0859000000-c0347e7967790dd2587c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fdo-5329000000-baba84f3060b344715fb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zni-0922000000-b67cf0b97fa63ff53486
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gbc-4921000000-48c886d4142388a5131f
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a59-0509000000-8d8cf4fa37f1fd2ab06d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0109000000-c294f8d624bfb31e5968
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a59-0859000000-cd54db520fa7489f738a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fkc-6429000000-9565547ac2dc44f731f3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fr6-3910000000-0989b24bc3d7f2f2cede
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zni-0922000000-7b134603afe875ef8f4a
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]-196.1727128
predicted
DarkChem Lite v0.1.0
[M-H]-185.19395
predicted
DeepCCS 1.0 (2019)
[M-H]-196.1727128
predicted
DarkChem Lite v0.1.0
[M-H]-185.19395
predicted
DeepCCS 1.0 (2019)
[M+H]+196.0538128
predicted
DarkChem Lite v0.1.0
[M+H]+187.86815
predicted
DeepCCS 1.0 (2019)
[M+H]+196.0538128
predicted
DarkChem Lite v0.1.0
[M+H]+187.86815
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.6563128
predicted
DarkChem Lite v0.1.0
[M+Na]+196.31502
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.6563128
predicted
DarkChem Lite v0.1.0
[M+Na]+196.31502
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 14:43 / Updated at April 20, 2023 07:02