LY2090314   Click here for help

GtoPdb Ligand ID: 7958

Synonyms: LY-2090314
Compound class: Synthetic organic
Comment: LY2090314 is a potent inhibitor of glycogen synthase kinase-3 (GSK3) [2,4]. The discovery of LY2090314 is described by Engler et al. (2004) [2] where it is compound 12.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 91.95
Molecular weight 512.2
XLogP 4.51
No. Lipinski's rules broken 0
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Canonical SMILES Fc1cc2CN(CCn3c2c(c1)c(c3)C1=C(C(=O)NC1=O)c1cnc2n1cccc2)C(=O)N1CCCCC1
Isomeric SMILES Fc1cc2CN(CCn3c2c(c1)c(c3)C1=C(C(=O)NC1=O)c1cnc2n1cccc2)C(=O)N1CCCCC1
InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
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Summary of Clinical Use Click here for help
A Phase 1/II clinical trial (NCT01632306) assessing LY2090314 plus chemotherapy in patients with metastatic pancreatic cancer is underway (Nov 2014).
Mechanism Of Action and Pharmacodynamic Effects Click here for help
GSK3 plays an important role in many cellular pathways, including initiation of protein synthesis, cell proliferation, cell differentiation, and apoptosis [1]. GSK3 ihnibitors have potential for the treatment of neurodegenerative diseases such as Alzheimer's disease, inflammation, mood disorders, cancer and type 2 diabetes [3].