Details of the Drug

General Information of Drug (ID: DMC1NBW)

Drug Name
Thiazolidinedione
Synonyms
2295-31-0; 1,3-Thiazolidine-2,4-dione; thiazolidine-2,4-dione; 2,4-Dioxothiazolidine; 2,4(3H,5H)-Thiazoledione; USAF EK-5496; Thiazolidindione; UNII-AA68LXK93C; Thiazolidinedione-2,4; NSC 6745; EINECS 218-941-2; BRN 0110700; AA68LXK93C; AI3-61185; CHEBI:50992; NSC6745; ZOBPZXTWZATXDG-UHFFFAOYSA-N; MFCD00005478; 2,4-Thiazolidinedione, 99%; C3H3NO2S; thiazolidine-dione; 2,4-thiazolidindione; 2,5H)-Thiazoledione; PubChem17487
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 117.13
Topological Polar Surface Area (xlogp) 0.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C3H3NO2S
IUPAC Name
1,3-thiazolidine-2,4-dione
Canonical SMILES
C1C(=O)NC(=O)S1
InChI
InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey
ZOBPZXTWZATXDG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5437
ChEBI ID
CHEBI:50992
CAS Number
2295-31-0
DrugBank ID
DB11898
TTD ID
D0K8IX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Peroxisome proliferator-activated receptor gamma (PPAR-gamma) TTZMAO3 PPARG_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Alzheimer disease
ICD Disease Classification 8A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Peroxisome proliferator-activated receptor gamma (PPAR-gamma) DTT PPARG 2.41E-01 -0.06 -0.25
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Thiazolidinediones: a comparative review of approved uses. Diabetes Technol Ther. 2000 Autumn;2(3):429-40.
2 Functional PPAR-gamma receptor is a novel therapeutic target for ACTH-secreting pituitary adenomas. Nat Med. 2002 Nov;8(11):1281-7.
3 Expression of peroxisome proliferator-activated receptors (PPARs) in human urinary bladder carcinoma and growth inhibition by its agonists. Int J Cancer. 2003 May 1;104(5):597-602.
4 Tolerability and pharmacokinetics of lobeglitazone, a novel peroxisome proliferator-activated receptor-gamma agonist, after a single oral administration in healthy female subjects. Clin Drug Investig. 2014 Jul;34(7):467-74.
5 Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
6 Peroxisome proliferator-activated receptor alpha activators improve insulin sensitivity and reduce adiposity. J Biol Chem. 2000 Jun 2;275(22):16638-42.
7 Muraglitazar, a dual (alpha/gamma) PPAR activator: a randomized, double-blind, placebo-controlled, 24-week monotherapy trial in adult patients with... Clin Ther. 2005 Aug;27(8):1181-95.
8 A randomized-controlled trial to investigate the effects of rivoglitazone, a novel PPAR gamma agonist on glucose-lipid control in type 2 diabetes. Diabetes Obes Metab. 2011 Sep;13(9):806-13.
9 Balaglitazone: a second generation peroxisome proliferator-activated receptor (PPAR) gamma () agonist.Mini Rev Med Chem.2012 Feb;12(2):87-97.
10 Ragaglitazar: the pharmacokinetics, pharmacodynamics, and tolerability of a novel dual PPAR alpha and gamma agonist in healthy subjects and patients with type 2 diabetes. J Clin Pharmacol. 2003 Nov;43(11):1244-56.