Details of the Drug

General Information of Drug (ID: DMOIZY1)

Drug Name
2-Amino-4-phosphono-butyric acid
Synonyms
2-amino-4-phosphonobutanoic acid; 6323-99-5; DL-AP4; 20263-07-4; DL-2-Amino-4-phosphonobutyric acid; Butanoic acid, 2-amino-4-phosphono-; BRN 5255932; CHEMBL285843; BUTYRIC ACID, 2-AMINO-4-PHOSPHONO-; MFCD00013999; L-2-amino-4-phosphonobutyrate; Abu(P); SR-01000075414; L-2-amino-4-phosphobutyric acid; L-AP4 cpd, butyric; AC1Q6RPJ; 4-Amino Phosphonobutyrate
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): 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
2-amino-4-phosphonobutanoic acid
Canonical SMILES
C(CP(=O)(O)O)C(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)
InChIKey
DDOQBQRIEWHWBT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2207
CAS Number
6323-99-5
TTD ID
D00IGI

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 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 (2S,1'S,2'R,3'R)-2(2'-Carboxy-3'-hydroxymethylcyclopropyl)glycine-[3H], a potent and selective radioligand for labeling group 2 and 3 metabotropic ... Bioorg Med Chem Lett. 2005 Jan 17;15(2):349-51.
2 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.
3 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.
4 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.
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.