Mitoglitazone

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

Identification

Generic Name
Mitoglitazone
DrugBank Accession Number
DB11721
Background

Mitoglitazone has been used in trials studying the treatment of Type 2 Diabetes and Alzheimer's Disease.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 370.422
Monoisotopic: 370.098727764
Chemical Formula
C19H18N2O4S
Synonyms
  • MSDC-0160

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 / Aryl alkyl ketones / Thiazolidinediones / Alkyl aryl ethers / Pyridines and derivatives / Heteroaromatic compounds / Dicarboximides / Thiocarbamic acid derivatives / Organic carbonic acids and derivatives / Azacyclic compounds
show 4 more
Substituents
Alkyl aryl ether / Aromatic heteromonocyclic compound / Aryl alkyl ketone / Aryl ketone / Azacycle / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Ether
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
29I7RP18RG
CAS number
146062-49-9
InChI Key
IRNJSRAGRIZIHD-UHFFFAOYSA-N
InChI
InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)
IUPAC Name
5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
SMILES
CCC1=CN=C(C=C1)C(=O)COC1=CC=C(CC2SC(=O)NC2=O)C=C1

References

General References
Not Available
PubChem Compound
10429242
PubChem Substance
347828084
ChemSpider
8604670
BindingDB
228129
ChEBI
94409
ChEMBL
CHEMBL146624

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlzheimer's Disease (AD)1
2CompletedTreatmentType 2 Diabetes Mellitus2

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 Solubility0.0139 mg/mLALOGPS
logP2.77ALOGPS
logP3.15Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)6.61Chemaxon
pKa (Strongest Basic)2.78Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area85.36 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity98.13 m3·mol-1Chemaxon
Polarizability38.31 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/MSsplash10-00di-0109000000-4625eb0ce3a9ee3ff9fa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0029000000-00fbcde26c7d378b6d9c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zna-0839000000-b95cd6ea01dfa14219fe
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-010v-6797000000-4fa465881a79f7535bfb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0089-1911000000-af0c78492ea7b6d5ace7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-3922000000-b465e6caa2c2be36742e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0109000000-4625eb0ce3a9ee3ff9fa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1029000000-be162c0ff0c558244dad
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uk9-0619000000-f066475b4aef95d8e687
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00gm-7795000000-160628219092b0e6b6a0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0089-1912000000-637c06878d1b55632d68
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fr7-5943000000-57e8d3c16019df880496
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]-183.01555
predicted
DeepCCS 1.0 (2019)
[M-H]-183.01555
predicted
DeepCCS 1.0 (2019)
[M+H]+185.50423
predicted
DeepCCS 1.0 (2019)
[M+H]+185.50423
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.25063
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.25063
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:42 / Updated at June 12, 2020 16:53