Details of the Drug

General Information of Drug (ID: DMTQF2G)

Drug Name

(2S,4R)-4-(3-Methoxy-3-oxopropyl)glutamic Acid

Synonyms

CHEMBL482080; (2s,4r)-4-(3-Methoxy-3-Oxopropyl) Glutamic Acid; (2S,4R)-4-(3-Methoxy-3-oxopropyl)glutamic Acid; ZINC40934342; BDBM50252048; (4R)-4-(3-methoxy-3-oxopropyl)-L-glutamic acid; (2S,4R)-2-amino-4-(3-methoxy-3-oxopropyl)pentanedioic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

233.22

Topological Polar Surface Area (xlogp)

-3.3

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C9H15NO6
IUPAC Name: (2S,4R)-2-amino-4-(3-methoxy-3-oxopropyl)pentanedioic acid
Canonical SMILES: COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O
InChI: InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1
InChIKey: IPTIKQIFOOZKAT-RITPCOANSA-N

Cross-matching ID

PubChem CID: 24905704
TTD ID: D03UIR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic kainate 1 (GRIK1)	TT0MYE2	GRIK1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Chemo-enzymatic synthesis of a series of 2,4-syn-functionalized (S)-glutamate analogues: new insight into the structure-activity relation of ionotr... J Med Chem. 2008 Jul 24;51(14):4093-103.
2	Development of medications for alcohol use disorders: recent advances and ongoing challenges. Expert Opin Emerg Drugs. 2005 May;10(2):323-43.
3	Pharmacogenetics of new analgesics. Br J Pharmacol. 2011 Jun;163(3):447-60.
4	The efficacy of the AMPA receptor antagonist NS1209 and lidocaine in nerve injury pain: a randomized, double-blind, placebo-controlled, three-way crossover study. Anesth Analg. 2009 Apr;108(4):1311-9.
5	4,10-Dihydro-4-oxo-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-2-carboxylic acid derivatives: highly potent and selective AMPA receptors antagonists with... Bioorg Med Chem Lett. 2000 May 15;10(10):1133-7.
6	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. (Target id: 450).
7	Synthesis of chiral 1-(2'-amino-2'-carboxyethyl)-1,4-dihydro-6,7-quinoxaline-2,3-diones: alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionate recep... J Med Chem. 1996 Oct 25;39(22):4430-8.