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]
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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
CAS Number: 169209-65-8
TTD ID: D0D2GL

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.