General Information of Drug (ID: DM8XR4Y)

Drug Name
Gly-Hyp-Glu
Synonyms Gly-Hyp-Glu; CHEMBL380624; SCHEMBL2084290; MPZCPLJCORMPJI-CSMHCCOUSA-N; glycyl-l-hydroxyprolyl-l-glutamic acid; Glycyl-trans-4-hydroxy-L-prolyl-L-glutamic acid
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) 317.3
Logarithm of the Partition Coefficient (xlogp) -5.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C12H19N3O7
IUPAC Name
(2S)-2-[[(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-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)O
InChI
InChI=1S/C12H19N3O7/c13-4-9(17)15-5-6(16)3-8(15)11(20)14-7(12(21)22)1-2-10(18)19/h6-8,16H,1-5,13H2,(H,14,20)(H,18,19)(H,21,22)/t6-,7+,8+/m1/s1
InChIKey
MPZCPLJCORMPJI-CSMHCCOUSA-N
Cross-matching ID
PubChem CID
11902976
CAS Number
32302-79-7
TTD ID
D0P3MF

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.