SYM2081   Click here for help

GtoPdb Ligand ID: 4317

Synonyms: (2S,4R)-Me-Glu [2] | compound 52 [PMID: 10821708] | SYM 2081 | SYM-2081
Compound class: Synthetic organic
Comment: SYM2081 is a potent agonist of the kainate receptors GluK1 and GluK2 (formerly GluR5 and GluR6) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 106.28
Molecular weight 159.05
XLogP -4.02
No. Lipinski's rules broken 0
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Canonical SMILES [O-]C(=O)C(CC(C(=O)[O-])N)C
Isomeric SMILES [O-]C(=O)[C@@H](C[C@@H](C(=O)[O-])N)C
InChI InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-2/t3-,4+/m1/s1
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Molecular structure representations generated using Open Babel