Details of the Drug

General Information of Drug (ID: DMO8LAC)

Drug Name

Gly-Amp-Glu

Synonyms

Gly-Amp-Glu

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)

316.31

Logarithm of the Partition Coefficient (xlogp)

-7.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C12H20N4O6
IUPAC Name: (2S)-2-[[(2S,4S)-4-amino-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid
Canonical SMILES: C1[C@@H](CN([C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)CN)N
InChI: InChI=1S/C12H20N4O6/c13-4-9(17)16-5-6(14)3-8(16)11(20)15-7(12(21)22)1-2-10(18)19/h6-8H,1-5,13-14H2,(H,15,20)(H,18,19)(H,21,22)/t6-,7-,8-/m0/s1
InChIKey: FVOTXFYXMKNJIH-FXQIFTODSA-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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	New Gly-Pro-Glu (GPE) analogues: expedite solid-phase synthesis and biological activity. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1392-6.