Details of the Drug

General Information of Drug (ID: DMPJFGI)

Drug Name
L-AP4
Synonyms
(2S)-2-Amino-4-phosphonobutanoic acid; 23052-81-5; (2S)-2-amino-4-phosphonobutanoic acid; L-(+)-2-Amino-4-phosphonobutyric acid; L-APB; (S)-2-amino-4-phosphonobutanoic acid; CHEMBL33567; L-AP-4; S-2-amino-4-phosphonobutyrate; [3H]AP4; L-2-amino-4-phosphonobutiric acid; L-1-amino-4-phosphonobutanoic acid; Tocris-0103; NCIStruc2_000128; NCIStruc1_000162; SCHEMBL1969235; GTPL1410; GTPL1412; AC1L456H; MolPort-002-514-399; NCI30079; ZINC2033983; BN0084; CCG-37553; NCGC00013365
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
Logarithm of the Partition Coefficient (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
(2S)-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-/m0/s1
InChIKey
DDOQBQRIEWHWBT-VKHMYHEASA-N
Cross-matching ID
PubChem CID
179394
ChEBI ID
CHEMBL33567
CAS Number
23052-81-5
TTD ID
D0PN6Z
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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 Agonist [2]
Metabotropic glutamate receptor 6 (mGluR6) TTWRP2F GRM6_HUMAN Agonist [3]
Metabotropic glutamate receptor 7 (mGluR7) TT0I76D GRM7_HUMAN Agonist [4]
Metabotropic glutamate receptor 8 (mGluR8) TT0IFKL GRM8_HUMAN Agonist [5]
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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: 1412).
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 Cloning, distribution and functional expression of the human mGlu6 metabotropic glutamate receptor. Neuropharmacology. 1997 Feb;36(2):145-52.
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 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.