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]
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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

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: 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.