2,4-thiazolidinedione
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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
- 2,4-thiazolidinedione
- DrugBank Accession Number
- DB11898
- Background
Thiazolidinedione has been investigated for the treatment of Type 2 Diabetes, Diabetes Mellitus, and DIABETES MELLITUS, TYPE 2.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 117.12
Monoisotopic: 116.988449515 - Chemical Formula
- C3H3NO2S
- Synonyms
- Thiazolidinedione
- External IDs
- NSC-6745
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism APeroxisome proliferator-activated receptor gamma agonistHumans - 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcarbose The risk or severity of hypoglycemia can be increased when Acarbose is combined with 2,4-thiazolidinedione. Acebutolol The therapeutic efficacy of 2,4-thiazolidinedione can be increased when used in combination with Acebutolol. Acetazolamide The therapeutic efficacy of 2,4-thiazolidinedione can be increased when used in combination with Acetazolamide. Acetohexamide The risk or severity of hypoglycemia can be increased when Acetohexamide is combined with 2,4-thiazolidinedione. Acetyl sulfisoxazole The therapeutic efficacy of 2,4-thiazolidinedione can be increased when used in combination with Acetyl sulfisoxazole. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as thiazolidinediones. These are heterocyclic compounds containing a thiazolidine ring which bears two ketone groups.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Azolidines
- Sub Class
- Thiazolidines
- Direct Parent
- Thiazolidinediones
- Alternative Parents
- Dicarboximides / Thiocarbamic acid derivatives / Organic carbonic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic heteromonocyclic compound / Azacycle / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- thiazolidenedione (CHEBI:50992)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- AA68LXK93C
- CAS number
- 2295-31-0
- InChI Key
- ZOBPZXTWZATXDG-UHFFFAOYSA-N
- InChI
- InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
- IUPAC Name
- 1,3-thiazolidine-2,4-dione
- SMILES
- O=C1CSC(=O)N1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 5437
- PubChem Substance
- 347828231
- ChemSpider
- 5242
- ChEBI
- 50992
- ChEMBL
- CHEMBL85398
- ZINC
- ZINC000008554292
- PDBe Ligand
- OD3
- PDB Entries
- 8i67
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample dataNot Available Completed Not Available Type 2 Diabetes Mellitus 1 somestatus stop reason just information to hide Not Available Completed Treatment Type 2 Diabetes Mellitus 1 somestatus stop reason just information to hide Not Available Not Yet Recruiting Not Available Pancreatic Cancer 1 somestatus stop reason just information to hide Not Available Recruiting Basic Science Uric Acid Kidney Stone Disease 1 somestatus stop reason just information to hide Not Available Terminated Basic Science Obesity / Resistance, Insulin 1 somestatus stop reason just 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
Property Value Source Water Solubility 77.9 mg/mL ALOGPS logP -0.88 ALOGPS logP -0.28 Chemaxon logS -0.18 ALOGPS pKa (Strongest Acidic) 7.36 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.17 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 25.54 m3·mol-1 Chemaxon Polarizability 9.66 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 113.2661765 predictedDarkChem Lite v0.1.0 [M-H]- 128.72891 predictedDeepCCS 1.0 (2019) [M+H]+ 113.9917765 predictedDarkChem Lite v0.1.0 [M+H]+ 130.69359 predictedDeepCCS 1.0 (2019) [M+Na]+ 113.5892765 predictedDarkChem Lite v0.1.0 [M+Na]+ 138.95117 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Agonist
- General Function
- Nuclear receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Once activated by a ligand, the nuclear receptor binds to DNA specific PPAR response elements (PPRE) and modulates the transcription of its target genes, such as acyl-CoA oxidase. It therefore controls the peroxisomal beta-oxidation pathway of fatty acids. Key regulator of adipocyte differentiation and glucose homeostasis. ARF6 acts as a key regulator of the tissue-specific adipocyte P2 (aP2) enhancer. Acts as a critical regulator of gut homeostasis by suppressing NF-kappa-B-mediated pro-inflammatory responses. Plays a role in the regulation of cardiovascular circadian rhythms by regulating the transcription of BMAL1 in the blood vessels (By similarity)
- Specific Function
- alpha-actinin binding
- Gene Name
- PPARG
- Uniprot ID
- P37231
- Uniprot Name
- Peroxisome proliferator-activated receptor gamma
- Molecular Weight
- 57619.58 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 20:58 / Updated at August 26, 2024 19:24