LY341495   Click here for help

GtoPdb Ligand ID: 1378

Synonyms: LY 341495 | LY-341,495 | LY-341495
PDB Ligand
Compound class: Synthetic organic
Comment: LY341495 is an antagonist of metabotropic glutamate (mGlu) receptors, with highest potency at the group II mGlu2, 3 and 8 receptors [4].
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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 5
Topological polar surface area 109.85
Molecular weight 353.13
XLogP -0.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1CC1C(C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N
Isomeric SMILES OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N
InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
InChI Key VLZBRVJVCCNPRJ-KPHUOKFYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu3 receptor Hs Antagonist Antagonist 8.9 pKi - 2
pKi 8.9 [2]
mGlu2 receptor Hs Antagonist Antagonist 8.6 pKi - 2
pKi 8.6 [2]
mGlu2 receptor Rn Antagonist Antagonist 7.7 – 9.0 pKi - 1,5
pKi 7.7 – 9.0 [1,5]
mGlu3 receptor Rn Antagonist Antagonist 8.0 pKi - 5
pKi 8.0 [5]
mGlu1 receptor Hs Antagonist Antagonist 7.8 pKi - 4
pKi 7.8 [4]
mGlu7 receptor Hs Antagonist Antagonist 6.7 pKi - 6
pKi 6.7 [6]
mGlu8 receptor Hs Antagonist Antagonist 6.8 pIC50 - 4
pIC50 6.8 [4]
mGlu5 receptor Hs Antagonist Antagonist 5.1 pIC50 - 4
pIC50 5.1 [4]
mGlu4 receptor Hs Antagonist Antagonist 4.7 pIC50 - 3
pIC50 4.7 [3]
Ligand mentioned in the following text fields