compound 2f [Jiang et al., 2018]

Ligand id: 9810

Name: compound 2f [Jiang et al., 2018]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 146.37
Molecular weight 556.23
XLogP 4.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(2-cyclopropaneamidopyridin-4-yl)-4-methoxy-N-{3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]propyl}-1,3-thiazole-5-carboxamide
Synonyms
dual GSK-3β/AChE inhibitor
Comments
Compound 2f is a hybrid molecule that combines a selective glycogen synthase kinase-3β (GSK-3β) inhibitor (GSK-3β inhibitor 3 [PMID: 25845281]) with the acetylcholinesterase (AChE) inhibitor tacrine [1]. It is predicted that this approach may improve clinical efficacy in Alzheimer's disease (AD) by simultaneously targeting these two crucial AD targets, and presents as a useful tool for furthering AD drug discovery. It is active in vitro and in vivo.
Database Links
GtoPdb PubChem SID 354702282
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