LY395756   Click here for help

GtoPdb Ligand ID: 11614

Synonyms: (±)-LY 395756 | LY 395756 | LY-395756 | LY39
Compound class: Synthetic organic
Comment: LY 395756 is a small molecule that acts as an agonist of mGlu2 receptors and as an antagonist of mGlu3 receptors [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 3
Rotatable bonds 2
Topological polar surface area 100.62
Molecular weight 199.08
XLogP -2.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O
Isomeric SMILES C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O
InChI InChI=1S/C9H13NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+,6+,9+/m1/s1
InChI Key BQVZICWQBFTOJX-QNDZYWSYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu2 receptor Hs Agonist Agonist 6.8 pKi - 1
pKi 6.8 (Ki 1.65x10-7 M) [1]
mGlu3 receptor Hs Antagonist Antagonist 6.5 pKi - 1
pKi 6.5 (Ki 3.02x10-7 M) [1]