MPPG   Click here for help

GtoPdb Ligand ID: 1415

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 130.66
Molecular weight 245.05
XLogP -3.08
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)C(c1ccc(cc1)P(=O)(O)O)(N)C
Isomeric SMILES OC(=O)C(c1ccc(cc1)P(=O)(O)O)(N)C
InChI InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu4 receptor Rn Antagonist Antagonist 4.2 pKi - 1
pKi 4.2 [1]
mGlu7 receptor Hs Antagonist Antagonist 3.8 pKi - 3
pKi 3.8 [3]
mGlu8 receptor Hs Antagonist Antagonist 4.3 pIC50 - 4
pIC50 4.3 (IC50 4.65x10-5 M) [4]
mGlu6 receptor Hs Antagonist Antagonist 3.3 pIC50 - 2
pIC50 3.3 [2]