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
CHEMBL161803
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.