Details of the Drug

General Information of Drug (ID: DMG6Q45)

Drug Name

TDZD-8

Synonyms

327036-89-5; 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione; GSK-3beta Inhibitor I; TDZD 8; 1,2,4-Thiadiazolidine-3,5-dione, 2-methyl-4-(phenylmethyl)-; MFCD04973552; NP 01139; AK-48153; 4-Benzyl-2-methyl-[1,2,4]thiadiazolidine-3,5-dione; 1,2,4-Thiadiazolidine-3,5-dione,2-methyl-4-(phenylmethyl)-; GSK-3 Inhibitor I; SCHEMBL139834; GTPL5977; CHEMBL284861; BDBM7781; CTK4G9152; ZINC27361; AOB6176; EX-A109; DTXSID30399590; JDSJDASOXWCHPN-UHFFFAOYSA-N; MolPort-003-844-896; HMS3229G12; A Inhibitor I, TDZD-8

Indication

Disease Entry	ICD 11	Status	REF
Malignant glioma	2A00.0	Patented	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

222.27

Topological Polar Surface Area (xlogp)

1.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H10N2O2S
IUPAC Name: 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
Canonical SMILES: CN1C(=O)N(C(=O)S1)CC2=CC=CC=C2
InChI: InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey: JDSJDASOXWCHPN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4124851
ChEBI ID: CHEBI:147411
CAS Number: 327036-89-5
TTD ID: D06KNK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 alpha (GSK-3A)	TTRZQE3	GSK3A_HUMAN	Inhibitor	[1]
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666.
2	Identification of novel scaffold of benzothiazepinones as non-ATP competitive glycogen synthase kinase-3beta inhibitors through virtual screening. Bioorg Med Chem Lett. 2012 Dec 1;22(23):7232-6.
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4	The GSK3 kinase inhibitor lithium produces unexpected hyperphosphorylation of -catenin, a GSK3 substrate, in human glioblastoma cells. Biol Open. 2018 Jan 26;7(1):bio030874.
5	Evidence for irreversible inhibition of glycogen synthase kinase-3beta by tideglusib. J Biol Chem. 2012 Jan 6;287(2):893-904.
6	9-ING-41, a small molecule inhibitor of GSK-3beta, potentiates the effects of anticancer therapeutics in bladder cancer. Sci Rep. 2019 Dec 27;9(1):19977.
7	Company report (Neurim Pharmaceuticals)
8	1-Azakenpaullone is a selective inhibitor of glycogen synthase kinase-3 beta. Bioorg Med Chem Lett. 2004 Jan 19;14(2):413-6.
9	Selective glycogen synthase kinase 3 inhibitors potentiate insulin activation of glucose transport and utilization in vitro and in vivo. Diabetes. 2003 Mar;52(3):588-95.
10	Fragment and knowledge-based design of selective GSK-3beta inhibitors using virtual screening models. Eur J Med Chem. 2009 Jun;44(6):2361-71.
11	Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.
12	Challenges and new opportunities in the investigation of new drug therapies to treat frontotemporal dementia. Expert Opin Ther Targets. 2008 Nov;12(11):1367-76.