Details of the Drug

General Information of Drug (ID: DME4LA1)

Drug Name
Tideglusib
Synonyms NP-031112; NP-12; NP031112; Tideglusib(NP-031112)
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Phase 2 [1]
Osteosarcoma 2B51 Phase 2 [2]
Coronavirus Disease 2019 (COVID-19) 1D6Y Investigative [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.4
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H14N2O2S
IUPAC Name
4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
Canonical SMILES
C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
InChIKey
PMJIHLSCWIDGMD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11313622
ChEBI ID
CHEBI:147398
CAS Number
865854-05-3
DrugBank ID
DB12129
TTD ID
D0UT7X
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glycogen synthase kinase-3 beta (GSK-3B) TTRSMW9 GSK3B_HUMAN Inhibitor [2]
COVID-19 papain-like proteinase (PL-PRO) TTNHMO8 R1AB_SARS2 (819-2763) Inhibitor [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Glycogen synthase kinase-3 beta (GSK3B) OTL3L14B GSK3B_HUMAN Gene/Protein Processing [4]
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
Glycogen synthase kinase-3 beta (GSK-3B) DTT GSK3B 1.26E-01 -0.23 -0.77
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 A Phase II Trial of Tideglusib in Alzheimer's Disease. J Alzheimers Dis. 2015;45(1):75-88.
2 Evidence for irreversible inhibition of glycogen synthase kinase-3beta by tideglusib. J Biol Chem. 2012 Jan 6;287(2):893-904.
3 Structure of Mpro from COVID-19 virus and discovery of its inhibitors. Nature. 2020 Apr 9.
4 Regulation of the Nrf2 Pathway by Glycogen Synthase Kinase-3 in MPP?-Induced Cell Damage. Molecules. 2019 Apr 8;24(7):1377. doi: 10.3390/molecules24071377.