threo-3-methylglutamate   

GtoPdb Ligand ID: 4573

Synonyms: (±)-threo-3-methylglutamic acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 100.62
Molecular weight 161.07
XLogP -3.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CC(C(C(=O)O)N)C
Isomeric SMILES OC(=O)CC(C(C(=O)O)N)C
InChI InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)
InChI Key FHJNAFIJPFGZRI-UHFFFAOYSA-N
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Excitatory amino acid transporter 2 Hs Inhibitor Inhibition 4.7 pKB - 2
pKB 4.7 (KB 1.8x10-5 M) [2]
Excitatory amino acid transporter 4 Hs Inhibitor Inhibition 4.3 pKi - 1
pKi 4.3 (Ki 5x10-5 M) [1]
Ligand mentioned in the following text fields