NAAG   Click here for help

GtoPdb Ligand ID: 1405

Synonyms: N-acetylaspartylglutamate | isospaglumic acid | spaglumic acid
Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 11
Topological polar surface area 170.1
Molecular weight 304.09
XLogP -2.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCC(C(=O)O)NC(=O)C(NC(=O)C)CC(=O)O
Isomeric SMILES OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)C)CC(=O)O
InChI InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
InChI Key OPVPGKGADVGKTG-BQBZGAKWSA-N
Natural/Endogenous Targets
Target
mGlu3 receptor
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu3 receptor Ligand is endogenous in the given species Hs Agonist Full agonist 4.7 pKi - 1
pKi 4.7 [1]
Ligand mentioned in the following text fields