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

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEMBL284861
CAS Number: 327036-89-5
TTD ID: D06KNK

Drug-Molecule Activity Atlas (DMA)^NEW

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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]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cell division control protein 6 homolog (CDC6)	OTX93FE7	CDC6_HUMAN	Gene/Protein Processing	[3]
Cyclin-dependent kinase inhibitor 1 (CDKN1A)	OTQWHCZE	CDN1A_HUMAN	Gene/Protein Processing	[3]
M-phase inducer phosphatase 3 (CDC25C)	OTPQI71S	MPIP3_HUMAN	Gene/Protein Processing	[3]
Mitogen-activated protein kinase 1 (MAPK1)	OTH85PI5	MK01_HUMAN	Post-Translational Modifications	[4]
Mitogen-activated protein kinase 3 (MAPK3)	OTCYKGKO	MK03_HUMAN	Post-Translational Modifications	[4]
Mitogen-activated protein kinase 8 (MAPK8)	OTEREYS5	MK08_HUMAN	Post-Translational Modifications	[4]
Mitogen-activated protein kinase 9 (MAPK9)	OTCEVJ9E	MK09_HUMAN	Post-Translational Modifications	[4]

Molecular Interaction Atlas (MIA)

MIA Detail

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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	Lithium suppresses cell proliferation by interrupting E2F-DNA interaction and subsequently reducing S-phase gene expression in prostate cancer. Prostate. 2007 Jun 15;67(9):976-88. doi: 10.1002/pros.20586.
4	Forecasting cell death dose-response from early signal transduction responses in vitro. Toxicol Sci. 2014 Aug 1;140(2):338-51. doi: 10.1093/toxsci/kfu089. Epub 2014 May 13.