General Information of Drug (ID: DMM0JA4)

Drug Name
Gly-Pip-Glu
Synonyms Gly-Pip-Glu; SCHEMBL2084204
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) 315.32
Logarithm of the Partition Coefficient (xlogp) -4.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C13H21N3O6
IUPAC Name
(2S)-2-[[(2S)-1-(2-aminoacetyl)piperidine-2-carbonyl]amino]pentanedioic acid
Canonical SMILES
C1CCN([C@@H](C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)CN
InChI
InChI=1S/C13H21N3O6/c14-7-10(17)16-6-2-1-3-9(16)12(20)15-8(13(21)22)4-5-11(18)19/h8-9H,1-7,14H2,(H,15,20)(H,18,19)(H,21,22)/t8-,9-/m0/s1
InChIKey
NEMPLRJUKFPLSV-IUCAKERBSA-N
Cross-matching ID
PubChem CID
25055596
TTD ID
D0BC2N

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.