LY339434   Click here for help

GtoPdb Ligand ID: 4246

Synonyms: LY 339434 | LY-339434
Compound class: Synthetic organic
Comment: LY339434 is a potent and selective agonist of the kainate receptor GluK1 (a.k.a. GluR5) [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 100.62
Molecular weight 313.13
XLogP 0.68
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)C(CC(C(=O)O)N)CC=Cc1ccc2c(c1)cccc2
Isomeric SMILES OC(=O)C(CC(C(=O)O)N)C/C=C/c1ccc2c(c1)cccc2
InChI InChI=1S/C18H19NO4/c19-16(18(22)23)11-15(17(20)21)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h1-6,8-10,15-16H,7,11,19H2,(H,20,21)(H,22,23)/b4-3+
1. Pedregal C, Collado I, Escribano A, Ezquerra J, Domínguez C, Mateo AI, Rubio A, Baker SR, Goldsworthy J, Kamboj RK et al.. (2000)
4-Alkyl- and 4-cinnamylglutamic acid analogues are potent GluR5 kainate receptor agonists.
J Med Chem, 43 (10): 1958-68. [PMID:10821708]
2. Small B, Thomas J, Kemp M, Hoo K, Ballyk B, Deverill M, Ogden AM, Rubio A, Pedregal C, Bleakman D. (1998)
LY339434, a GluR5 kainate receptor agonist.
Neuropharmacology, 37 (10-11): 1261-7. [PMID:9849663]