Details of the Drug

General Information of Drug (ID: DMX2TGD)

Drug Name

H-Gly-D-dmP-Glu-OH

Synonyms

CHEMBL212694

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)

329.35

Logarithm of the Partition Coefficient (xlogp)

-3.5

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C14H23N3O6
IUPAC Name: (2S)-2-[[(2R)-1-(2-aminoacetyl)-5,5-dimethylpyrrolidine-2-carbonyl]amino]pentanedioic acid
Canonical SMILES: CC1(CC[C@@H](N1C(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C
InChI: InChI=1S/C14H23N3O6/c1-14(2)6-5-9(17(14)10(18)7-15)12(21)16-8(13(22)23)3-4-11(19)20/h8-9H,3-7,15H2,1-2H3,(H,16,21)(H,19,20)(H,22,23)/t8-,9+/m0/s1
InChIKey: KNUZCBVWBGSPRA-DTWKUNHWSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The neuroprotective activity of GPE tripeptide analogues does not correlate with glutamate receptor binding affinity. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3396-400.