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]
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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: CHEBI:143992
CAS Number: 23052-81-5
TTD ID: D0PN6Z

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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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: 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.