Details of the Drug

General Information of Drug (ID: DMOE3IJ)

Drug Name
threo-3-methylglutamate
Synonyms (+/-)-threo-3-methylglutamic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 161.16
Logarithm of the Partition Coefficient (xlogp) -3.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C6H11NO4
IUPAC Name
2-amino-3-methylpentanedioic acid
Canonical SMILES
CC(CC(=O)O)C(C(=O)O)N
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)
InChIKey
FHJNAFIJPFGZRI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
237657
ChEBI ID
CHEMBL3621953
CAS Number
2445-97-8
TTD ID
D04MSI
VARIDT ID
DR01070
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Excitatory amino acid transporter 2 (SLC1A2) TT2F078 EAA2_HUMAN Inhibitor [2]
Excitatory amino acid transporter 4 (SLC1A6) TT6KMPN EAA4_HUMAN Inhibitor [3]
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References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4573).
2 Contrasting modes of action of methylglutamate derivatives on the excitatory amino acid transporters, EAAT1 and EAAT2. Mol Pharmacol. 1997 May;51(5):809-15.
3 Pharmacological characterization of threo-3-methylglutamic acid with excitatory amino acid transporters in native and recombinant systems. J Neurochem. 2001 Apr;77(2):550-7.