VU0092273   Click here for help

GtoPdb Ligand ID: 6421

Synonyms: VU 0092273
Compound class: Synthetic organic
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 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 40.54
Molecular weight 305.14
XLogP 4
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
Isomeric SMILES OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
InChI InChI=1S/C20H19NO2/c22-19-12-14-21(15-13-19)20(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,19,22H,12-15H2
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu5 receptor Rn Allosteric modulator Positive 7.5 pEC50 - 1
pEC50 7.5 (EC50 3.5x10-8 M) [1]
mGlu5 receptor Rn Agonist Agonist 5.9 pEC50 - 1
pEC50 5.9 (EC50 1.3x10-6 M) [1]