TIDEGLUSIB

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Search structure


Synonyms	NP-031112 NP-12 NP031112 Np-031112 Tideglusib Zentylor nypta
Status
Molecule Category	Free-form
UNII	Q747Y6TT42
EPA CompTox	DTXSID90235682

Structure


InChI Key	PMJIHLSCWIDGMD-UHFFFAOYSA-N
Smiles	O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H14N2O2S
Molecular Weight	334.4
AlogP	3.26
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	44.0
Heavy Atoms	24.0

Pharmacology

Mechanism of Action	Action	Reference
Glycogen synthase kinase-3 beta inhibitor	INHIBITOR	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family	-	5-139	-	-	-
Enzyme Protease Cysteine protease	-	600	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	5-139	-	-	-
Staphylococcus aureus	-	600	-	-	-

Target Conservation


Protein: Glycogen synthase kinase-3 beta Description: Glycogen synthase kinase-3 beta Organism : Homo sapiens P49841 ENSG00000082701

Cross References

Resources	Reference
ChEBI	147398
ChEMBL	CHEMBL3545157
DrugBank	DB12129
FDA SRS	Q747Y6TT42
Guide to Pharmacology	6929
SureChEMBL	SCHEMBL676929
ZINC	ZINC000013985228

CONTENTS

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...

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Last update: Monday, 3 November 2025