compound 42 [PMID: 17189691]

Ligand id: 6446

Name: compound 42 [PMID: 17189691]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 80.32
Molecular weight 271.1
XLogP 2.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
mGlu5 receptor Allosteric modulator Negative 7.0 pKi - 1
pKi 7.0 (Ki 9.5x10-8 M) [1]
mGlu5 receptor Allosteric modulator Negative 7.2 pIC50 - 1
pIC50 7.2 (IC50 6x10-8 M) [1]