compound 9a [PMID: 22266036]

Ligand id: 6356

Name: compound 9a [PMID: 22266036]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 73.91
Molecular weight 351.1
XLogP 2.88
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 human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
mGlu1 receptor Allosteric modulator Negative 8.4 pKi - 1
pKi 8.4 (Ki 3.6x10-9 M) [1]
mGlu1 receptor Allosteric modulator Negative 8.2 pIC50 - 1
pIC50 8.2 (IC50 6.3x10-9 M) [1]