Details of the Drug

General Information of Drug (ID: DM2WS8B)

Drug Name
D-AP4
Synonyms
D-AP4; 78739-01-2; (2R)-2-amino-4-phosphonobutanoic acid; (R)-2-Amino-4-phosphonobutanoic acid; d(-)-2-amino-4-phosphonobutyric acid; Tocris-0101; Tocris-0102; D-APB; AC1LT3KN; Lopac-A-1910; GTPL1443; SCHEMBL12648443; CHEMBL1319383; CTK2I0929; BDBM82006; MolPort-004-956-473; ZINC1656225; PDSP1_000361; PDSP2_000359; BN0083; (r)-2-amino-4-phosphonobutyric acid; AKOS024456336; FCH3604711; API0009835; NCGC00024467-01; D-(-)-2-Amino-4-phosphonobutyric acid; NCGC00024466-01; NCGC00015041-02; NCGC00015041-01; B6201; FT-0772107; Butanoic acid, 2
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) 183.1
Topological Polar Surface Area (xlogp) -5.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C4H10NO5P
IUPAC Name
(2R)-2-amino-4-phosphonobutanoic acid
Canonical SMILES
C(CP(=O)(O)O)[C@H](C(=O)O)N
InChI
InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m1/s1
InChIKey
DDOQBQRIEWHWBT-GSVOUGTGSA-N
Cross-matching ID
PubChem CID
1550579
TTD ID
D0G7TT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 8 (mGluR8) TT0IFKL GRM8_HUMAN Agonist [2]
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: 1443).
2 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.
3 Cloning and functional expression of alternative spliced variants of the human metabotropic glutamate receptor 8. Brain Res Mol Brain Res. 1999 Apr 20;67(2):201-10.
4 Excitatory amino acid receptor ligands: resolution, absolute stereochemistry, and enantiopharmacology of 2-amino-3-(4-butyl-3-hydroxyisoxazol-5-yl)... J Med Chem. 1998 Mar 12;41(6):930-9.
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.
6 The metabotropic glutamate receptors: structure, activation mechanism and pharmacology. Curr Drug Targets CNS Neurol Disord. 2002 Jun;1(3):297-317.
7 (S)-3,4-DCPG, a potent and selective mGlu8a receptor agonist, activates metabotropic glutamate receptors on primary afferent terminals in the neonatal rat spinal cord. Neuropharmacology. 2001 Mar;40(3):311-8.
8 Pharmacological characterization of the rat metabotropic glutamate receptor type 8a revealed strong similarities and slight differences with the type 4a receptor. Eur J Pharmacol. 2000 Apr 7;394(1):17-26.