Details of the Drug

General Information of Drug (ID: DMG5QJB)

Drug Name
(+)-MCPG
Synonyms
(S)-Mcpg; (S)-MCPG; (+)-alpha-Methyl-4-carboxyphenylglycine; (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE; 4-[(1S)-1-amino-1-carboxyethyl]benzoic acid; 4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID; UNII-61F6J48NHR; alpha-Mcpg; 61F6J48NHR; CHEMBL257626; CHEBI:43876; alpha-Methyl-cpgly; (S)-a-methyl-4-carboxyphenylglycine; (S)- -Methyl-4-carboxyphenylglycine; (S)-4-(1-amino-1-carboxyethyl)benzoic acid; (S)-(+)-alpha-methyl-4-carboxyphenylglycine; MCG; (S)-(+)-alpha-amino-4-carboxy-2-methylbenzeneacetic; alpha-Mcpg; alpha-methyl-4-carboxyphenylglycine; alpha-methyl-cpgly; 4-(1-Amino-1-Carboxy-Ethyl)-Benzoic Acid
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): 0 Molecular Weight (mw) 209.2
Logarithm of the Partition Coefficient (xlogp) -2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C10H11NO4
IUPAC Name
4-[(1S)-1-amino-1-carboxyethyl]benzoic acid
Canonical SMILES
C[C@](C1=CC=C(C=C1)C(=O)O)(C(=O)O)N
InChI
InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey
DNCAZYRLRMTVSF-JTQLQIEISA-N
Cross-matching ID
PubChem CID
446355
ChEBI ID
CHEBI:43876
CAS Number
150145-89-4
UNII
61F6J48NHR
DrugBank ID
DB04256
TTD ID
D0J8OW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 1 (mGluR1) TTVBPDM GRM1_HUMAN Antagonist [2]
Metabotropic glutamate receptor 2 (mGluR2) TTXJ47W GRM2_HUMAN Antagonist [3]
Metabotropic glutamate receptor 3 (mGluR3) TT8A9EF GRM3_HUMAN Antagonist [4]
Metabotropic glutamate receptor 5 (mGluR5) TTHS256 GRM5_HUMAN Antagonist [5]
Metabotropic glutamate receptor 7 (mGluR7) TT0I76D GRM7_HUMAN Antagonist [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Metabotropic glutamate receptor 5 (mGluR5) DTT GRM5 9.81E-07 -0.26 -0.54
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 1373).
2 [3H]R214127: a novel high-affinity radioligand for the mGlu1 receptor reveals a common binding site shared by multiple allosteric antagonists. Mol Pharmacol. 2003 May;63(5):1082-93.
3 Characterization of [3H]-(2S,2'R,3'R)-2-(2',3'-dicarboxy-cyclopropyl)glycine ([3H]-DCG IV) binding to metabotropic mGlu2 receptor-transfected cell membranes. Br J Pharmacol. 1998 Feb;123(3):497-504.
4 [3H]-LY341495 as a novel antagonist radioligand for group II metabotropic glutamate (mGlu) receptors: characterization of binding to membranes of mGlu receptor subtype expressing cells. Neuropharmacology. 1999 Oct;38(10):1519-29.
5 Characterization of [(3)H]Quisqualate binding to recombinant rat metabotropic glutamate 1a and 5a receptors and to rat and human brain sections. J Neurochem. 2000 Dec;75(6):2590-601.
6 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.