LY379268   Click here for help

GtoPdb Ligand ID: 1394

Synonyms: LY 379268 | LY-379,268 | LY-379268
Compound class: Synthetic organic
Comment: LY379268 is a metabotropic glutamate receptor 2/3 agonist.
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Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data across species

LY379268 is commercially available from our sponsors

2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 109.85
Molecular weight 187.05
XLogP -4.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES OC(=O)C1C2C1C(CO2)(N)C(=O)O
Isomeric SMILES OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O
InChI InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
InChI Key YASVRZWVUGJELU-MDASVERJSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1S,2R,5R,6R)-2-amino-4-oxabicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Synonyms Click here for help
LY 379268 | LY-379,268 | LY-379268
Database Links Click here for help
Specialist databases
GPCRdb Ligand LY379268
Other databases
BindingDB Ligand 50089890
CAS Registry No. 191471-52-0 (source: Scifinder)
ChEMBL Ligand CHEMBL275079
GtoPdb PubChem SID 135650556
PubChem CID 10197984
Search Google for chemical match using the InChIKey YASVRZWVUGJELU-MDASVERJSA-N
Search Google for chemicals with the same backbone YASVRZWVUGJELU
UniChem Compound Search for chemical match using the InChIKey YASVRZWVUGJELU-MDASVERJSA-N
UniChem Connectivity Search for chemical match using the InChIKey YASVRZWVUGJELU-MDASVERJSA-N
Wikipedia LY-379,268

Product suppliers

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Tocris
LY 379268 (links to external site)
Cat. No. 2453
LY 379268 disodium salt (links to external site)
Cat. No. 5064