Details of the Drug

General Information of Drug (ID: DMJMLKA)

Drug Name
Phe-Pro-Glu
Synonyms Phe-Pro-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) 391.4
Logarithm of the Partition Coefficient (xlogp) -3.1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C19H25N3O6
IUPAC Name
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
Canonical SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C19H25N3O6/c20-13(11-12-5-2-1-3-6-12)18(26)22-10-4-7-15(22)17(25)21-14(19(27)28)8-9-16(23)24/h1-3,5-6,13-15H,4,7-11,20H2,(H,21,25)(H,23,24)(H,27,28)/t13-,14-,15-/m0/s1
InChIKey
QARPMYDMYVLFMW-KKUMJFAQSA-N
Cross-matching ID
PubChem CID
44408683
ChEBI ID
CHEBI:161803
TTD ID
D05RRK

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.