Details of the Drug

General Information of Drug (ID: DM8L09J)

Drug Name

Gly-b7Pro-Glu

Synonyms

Gly-b7Pro-Glu

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)

327.33

Logarithm of the Partition Coefficient (xlogp)

-3.7

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C14H21N3O6
IUPAC Name: (2S)-2-[[7-(2-aminoacetyl)-7-azabicyclo[2.2.1]heptane-1-carbonyl]amino]pentanedioic acid
Canonical SMILES: C1CC2(CCC1N2C(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI: InChI=1S/C14H21N3O6/c15-7-10(18)17-8-3-5-14(17,6-4-8)13(23)16-9(12(21)22)1-2-11(19)20/h8-9H,1-7,15H2,(H,16,23)(H,19,20)(H,21,22)/t8?,9-,14?/m0/s1
InChIKey: AXVZKZJJSLXCSR-PUUHTONNSA-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	New Gly-Pro-Glu (GPE) analogues: expedite solid-phase synthesis and biological activity. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1392-6.