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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

117.13

Logarithm of the Partition Coefficient (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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Apoptosis regulator BAX (BAX)	OTAW0V4V	BAX_HUMAN	Gene/Protein Processing	[3]
Apoptosis regulator Bcl-2 (BCL2)	OT9DVHC0	BCL2_HUMAN	Gene/Protein Processing	[3]
Cyclin-dependent kinase 4 (CDK4)	OT7EP05T	CDK4_HUMAN	Gene/Protein Processing	[3]
Cyclin-dependent kinase inhibitor 1 (CDKN1A)	OTQWHCZE	CDN1A_HUMAN	Gene/Protein Processing	[3]
Cyclin-dependent kinase inhibitor 1B (CDKN1B)	OTNY5LLZ	CDN1B_HUMAN	Gene/Protein Processing	[3]
Cytochrome P450 1A1 (CYP1A1)	OTE4EFH8	CP1A1_HUMAN	Gene/Protein Processing	[4]
G1/S-specific cyclin-D1 (CCND1)	OT8HPTKJ	CCND1_HUMAN	Gene/Protein Processing	[3]
Peroxisome proliferator-activated receptor gamma (PPARG)	OTHMARHO	PPARG_HUMAN	Protein Interaction/Cellular Processes	[3]
Proliferating cell nuclear antigen (PCNA)	OTHZ1RIA	PCNA_HUMAN	Gene/Protein Processing	[3]
Retinoblastoma-associated protein (RB1)	OTQJUJMZ	RB_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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	Peroxisome proliferator-activated receptor gamma ligands induce cell cycle arrest and apoptosis in human renal carcinoma cell lines. Acta Pharmacol Sin. 2005 Jun;26(6):753-61. doi: 10.1111/j.1745-7254.2005.00753.x.
4	Evidence for a new human CYP1A1 regulation pathway involving PPAR-alpha and 2 PPRE sites. Gastroenterology. 2004 Nov;127(5):1436-45.