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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

233.22

Logarithm of the Partition Coefficient (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.