EcoDrugPlus


Synonyms	Thiazolidine-2,4-Dione Thiazolidinedione
Status
Molecule Category	Free-form
UNII	AA68LXK93C
EPA CompTox	DTXSID5040623

Synonyms

Thiazolidine-2,4-Dione

Thiazolidinedione

Status

Molecule Category

Free-form

UNII

AA68LXK93C

EPA CompTox

DTXSID5040623


InChI Key	ZOBPZXTWZATXDG-UHFFFAOYSA-N
Smiles	O=C1CSC(=O)N1
InChI	InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

InChI Key

ZOBPZXTWZATXDG-UHFFFAOYSA-N

Smiles

O=C1CSC(=O)N1

InChI

InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

Property Name	Value
Molecular Formula	C3H3NO2S
Molecular Weight	117.13
AlogP	-0.03
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	46.17
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C3H3NO2S

Molecular Weight

117.13

AlogP

-0.03

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

46.17

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

7.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	540	-	-	-
Enzyme	-	540	-	-	-
Unclassified protein	-	540	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Hydrolase

540

Enzyme

540

Unclassified protein

540

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Dengue virus	-	-	-	-	13
Homo sapiens	-	540	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Dengue virus

Homo sapiens

540

Resources	Reference
ChEBI	50992
ChEMBL	CHEMBL85398
DrugBank	DB11898
FDA SRS	AA68LXK93C
SureChEMBL	SCHEMBL5043
ZINC	ZINC000008554292

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

THIAZOLIDINEDIONE

Structure

Physicochemical Descriptors

Pharmacology

Cross References