General Information of Drug (ID: DMOYQPM)

Drug Name
H-Gly-dmP-Glu-OH
Synonyms SCHEMBL2085656; CHEMBL193486
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) 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-[[(2S)-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-IUCAKERBSA-N
Cross-matching ID
PubChem CID
11515428
CAS Number
853400-77-8
TTD ID
D01JHR

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 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.