Details of the Drug

General Information of Drug (ID: DMBWHGP)

Drug Name

LSP4-2022

Synonyms

LSP4-2022; GTPL6706; CHEMBL3114673; US9212196, Derivative 2; SCHEMBL13975986; BDBM196906; (2s)-2-amino-4-({[4-(carboxymethoxy)phenyl] (hydroxy)methyl}-(hydroxy)phosphoryl)butanoic acid; (2S)-2-amino-4-({[4-(carboxymethoxy)phenyl](hydroxy)methyl}(hydroxy)phosphoryl)butanoic acid

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)

347.26

Logarithm of the Partition Coefficient (xlogp)

-3.8

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C13H18NO8P
IUPAC Name: (2S)-2-amino-4-[[[4-(carboxymethoxy)phenyl]-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
Canonical SMILES: C1=CC(=CC=C1C(O)P(=O)(CC[C@@H](C(=O)O)N)O)OCC(=O)O
InChI: InChI=1S/C13H18NO8P/c14-10(12(17)18)5-6-23(20,21)13(19)8-1-3-9(4-2-8)22-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)/t10-,13?/m0/s1
InChIKey: BGOFVWMHMQISHB-NKUHCKNESA-N

Cross-matching ID

PubChem CID: 71041983
ChEBI ID: CHEMBL3114673
TTD ID: D0KL4K

Drug-Molecule Activity Atlas (DMA)^NEW

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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	[2]
Metabotropic glutamate receptor 7 (mGluR7)	TT0I76D	GRM7_HUMAN	Agonist	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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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: 6706).
2	A novel selective metabotropic glutamate receptor 4 agonist reveals new possibilities for developing subtype selective ligands with therapeutic potential. FASEB J. 2012 Apr;26(4):1682-93.