NAV

Imiglitazar

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

Identification

Generic Name
Imiglitazar
DrugBank Accession Number
DB12511
Background

Imiglitazar has been used in trials studying the treatment of Diabetes Mellitus.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 470.525
Monoisotopic: 470.184171945
Chemical Formula
C28H26N2O5
Synonyms
  • Imiglitazar
External IDs
  • TAK-559
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Oxazoles
Direct Parent
Phenyl-1,3-oxazoles
Alternative Parents
Phenoxy compounds / Phenol ethers / 2,4,5-trisubstituted oxazoles / Alkyl aryl ethers / Heteroaromatic compounds / Oxacyclic compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organonitrogen compounds
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Substituents
2,4,5-trisubstituted 1,3-oxazole / Alkyl aryl ether / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Ether / Heteroaromatic compound
show 12 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7244710F59
CAS number
250601-04-8
InChI Key
ULVDFHLHKNJICZ-QCWLDUFUSA-N
InChI
InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+
IUPAC Name
(4E)-4-[({4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methoxy)imino]-4-phenylbutanoic acid
SMILES
CC1=C(COC2=CC=C(CO\N=C(/CCC(O)=O)C3=CC=CC=C3)C=C2)N=C(O1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
9890879
PubChem Substance
347828742
ChemSpider
8066549
BindingDB
50309072
ChEMBL
CHEMBL592054
ZINC
ZINC000049756486

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentDiabetes Mellitus1
3TerminatedTreatmentDiabetes Mellitus5

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 Solubility0.0101 mg/mLALOGPS
logP5.16ALOGPS
logP5.06Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)4.15Chemaxon
pKa (Strongest Basic)2.73Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area94.15 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity141.78 m3·mol-1Chemaxon
Polarizability52.47 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0fi0-0411900000-32b65d14244d734424b2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0911100000-ff19e99df0318bcf173c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fb9-0921700000-bb4c4f06e112785cadd6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f89-1933100000-60be8d1e44c960306e0b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-003r-2900000000-966463af8af66368a957
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-3952000000-43832dfd44810c70aec2
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]-206.77425
predicted
DeepCCS 1.0 (2019)
[M+H]+209.16982
predicted
DeepCCS 1.0 (2019)
[M+Na]+215.19368
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:40 / Updated at February 21, 2021 18:53