methoxy-MPEP   Click here for help

GtoPdb Ligand ID: 3344

Abbreviated name: M-MPEP
Synonyms: M-MPEP
PDB Ligand
Compound class: Synthetic organic
Comment: Potent, subtype-selective antagonist for the metabotropic glutamate receptor subtype 5 (mGlu5) [2].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 22.12
Molecular weight 223.1
XLogP 3.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1cccc(c1)C#Cc1cccc(n1)C
Isomeric SMILES COc1cccc(c1)C#Cc1cccc(n1)C
InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3
InChI Key STDHINPODVHROK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridine
Synonyms Click here for help
M-MPEP
Database Links Click here for help
Specialist databases
GPCRdb Ligand methoxy-MPEP
Other databases
ChEMBL Ligand CHEMBL332397
GtoPdb PubChem SID 178100374
PubChem CID 5311462
RCSB PDB Ligand D8B, D8B
Search Google for chemical match using the InChIKey STDHINPODVHROK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone STDHINPODVHROK
UniChem Compound Search for chemical match using the InChIKey STDHINPODVHROK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey STDHINPODVHROK-UHFFFAOYSA-N