Details of the Drug

General Information of Drug (ID: DMJHQ9T)

Drug Name
MPPG
Synonyms
MPPG; 169209-65-8; 2-amino-2-(4-phosphonophenyl)propanoic acid; CHEMBL86508; AC1N11KO; GTPL1415; SCHEMBL12648709; CTK8F0596; DTXSID80398316; MolPort-003-983-629; MPPG, >=97% (NMR), solid; BDBM50089910; MFCD00672651; BN0344; AKOS024458668; API0007557; (RS)- -Methyl-4-phosphonophenylglycine; NCGC00024826-02; (RS)-; A-Methyl-4-phosphonophenylglycine; RT-013949; 2-Amino-2-(4-phosphono-phenyl)-propionic acid; L000410; SR-01000597457; J-010517; SR-01000597457-1; 2-Amino-2-(4-phosphono-phenyl)-propionic acid(RS-MPPG)
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 245.17
Logarithm of the Partition Coefficient (xlogp) -3.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C9H12NO5P
IUPAC Name
2-amino-2-(4-phosphonophenyl)propanoic acid
Canonical SMILES
CC(C1=CC=C(C=C1)P(=O)(O)O)(C(=O)O)N
InChI
InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)
InChIKey
PAONCRJPUQXPRW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3972752
ChEBI ID
CHEMBL86508
CAS Number
169209-65-8
TTD ID
D0D2GL
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 4 (mGluR4) TTICZ1O GRM4_HUMAN Antagonist [2]
Metabotropic glutamate receptor 6 (mGluR6) TTWRP2F GRM6_HUMAN Antagonist [3]
Metabotropic glutamate receptor 7 (mGluR7) TT0I76D GRM7_HUMAN Antagonist [4]
Metabotropic glutamate receptor 8 (mGluR8) TT0IFKL GRM8_HUMAN Antagonist [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1415).
2 Ligand binding to the amino-terminal domain of the mGluR4 subtype of metabotropic glutamate receptor. J Biol Chem. 1999 Apr 9;274(15):10008-13.
3 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 294).
4 Binding of [3H](2S,1'S,2'S)-2-(9-xanthylmethyl)-2-(2'-carboxycyclopropyl) glycine ([3H]LY341495) to cell membranes expressing recombinant human group III metabotropic glutamate receptor subtypes. Naunyn Schmiedebergs Arch Pharmacol. 2000 Dec;362(6):546-54.
5 Group III human metabotropic glutamate receptors 4, 7 and 8: molecular cloning, functional expression, and comparison of pharmacological properties in RGT cells. Brain Res Mol Brain Res. 1998 Jan;53(1-2):88-97.