Details of the Drug

General Information of Drug (ID: DMUCE93)

Drug Name
MAP4
Synonyms
MAP4; (S)-2-Amino-2-methyl-4-phosphonobutanoic acid; 157381-42-5; (2S)-2-amino-2-methyl-4-phosphonobutanoic acid; Tocris-0711; AC1LX6MM; MAP-4; SCHEMBL179781; GTPL1414; CHEMBL1488784; MolPort-003-983-618; ZINC2139819; BN0320; AKOS006272533; NCGC00024744-02; NCGC00024744-01; B6414; SR-01000597625; 381A425; J-009412
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) 197.13
Logarithm of the Partition Coefficient (xlogp) -4.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C5H12NO5P
IUPAC Name
(2S)-2-amino-2-methyl-4-phosphonobutanoic acid
Canonical SMILES
C[C@](CCP(=O)(O)O)(C(=O)O)N
InChI
InChI=1S/C5H12NO5P/c1-5(6,4(7)8)2-3-12(9,10)11/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11)/t5-/m0/s1
InChIKey
HONKEGXLWUDTCF-YFKPBYRVSA-N
Cross-matching ID
PubChem CID
1795545
TTD ID
D09SXN
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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: 1414).
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 The metabotropic glutamate receptors: structure, activation mechanism and pharmacology. Curr Drug Targets CNS Neurol Disord. 2002 Jun;1(3):297-317.
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 Constraints on proper folding of the amino terminal domains of group III metabotropic glutamate receptors. Brain Res Mol Brain Res. 2000 Mar 10;76(1):180-90.