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

Identification

Name
Balaglitazone
Accession Number
DB12781
Type
Small Molecule
Groups
Investigational
Description

Balaglitazone has been used in trials studying the treatment of Diabetes Mellitus, Type 2.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
4M1609828O
CAS number
199113-98-9
Weight
Average: 395.43
Monoisotopic: 395.093977213
Chemical Formula
C20H17N3O4S
InChI Key
IETKPTYAGKZLKY-UHFFFAOYSA-N
InChI
InChI=1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)
IUPAC Name
5-({4-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
SMILES
CN1C(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)=NC2=CC=CC=C2C1=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcetazolamideThe therapeutic efficacy of Balaglitazone can be increased when used in combination with Acetazolamide.
AcetohexamideBalaglitazone may increase the hypoglycemic activities of Acetohexamide.
Acetylsalicylic acidAcetylsalicylic acid may increase the hypoglycemic activities of Balaglitazone.
AlbendazoleThe metabolism of Balaglitazone can be decreased when combined with Albendazole.
AlclometasoneThe metabolism of Balaglitazone can be decreased when combined with Alclometasone.
AlfentanilThe metabolism of Alfentanil can be decreased when combined with Balaglitazone.
AlfuzosinThe metabolism of Balaglitazone can be decreased when combined with Alfuzosin.
AlmotriptanThe metabolism of Balaglitazone can be decreased when combined with Almotriptan.
AlosetronThe metabolism of Balaglitazone can be decreased when combined with Alosetron.
AlprazolamThe metabolism of Alprazolam can be decreased when combined with Balaglitazone.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9889200
PubChem Substance
347828962
ChemSpider
8064871
ChEMBL
CHEMBL2103991

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentType 2 Diabetes Mellitus1

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 Solubility0.0434 mg/mLALOGPS
logP2.63ALOGPS
logP2.49ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)7.61ChemAxon
pKa (Strongest Basic)2.05ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area88.07 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity106.84 m3·mol-1ChemAxon
Polarizability40.65 Å3ChemAxon
Number of Rings4ChemAxon
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, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Quinazolines
Alternative Parents
Phenoxy compounds / Phenol ethers / Thiazolidinediones / Pyrimidones / Alkyl aryl ethers / Heteroaromatic compounds / Dicarboximides / Thiocarbamic acid derivatives / Lactams / Azacyclic compounds
show 4 more
Substituents
Quinazoline / Phenoxy compound / Phenol ether / Alkyl aryl ether / Thiazolidinedione / Pyrimidone / Monocyclic benzene moiety / Benzenoid / Pyrimidine / Dicarboximide
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Human
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Jaakkola T, Backman JT, Neuvonen M, Neuvonen PJ: Effects of gemfibrozil, itraconazole, and their combination on the pharmacokinetics of pioglitazone. Clin Pharmacol Ther. 2005 May;77(5):404-14. doi: 10.1016/j.clpt.2004.12.266. [PubMed:15900286]
Kind
Protein
Organism
Human
Pharmacological action
No
Actions
Substrate
General Function
Steroid hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally un...
Gene Name
CYP2C8
Uniprot ID
P10632
Uniprot Name
Cytochrome P450 2C8
Molecular Weight
55824.275 Da
References
  1. Jaakkola T, Backman JT, Neuvonen M, Neuvonen PJ: Effects of gemfibrozil, itraconazole, and their combination on the pharmacokinetics of pioglitazone. Clin Pharmacol Ther. 2005 May;77(5):404-14. doi: 10.1016/j.clpt.2004.12.266. [PubMed:15900286]

Drug created on October 20, 2016 18:12 / Updated on October 11, 2018 22:31