compound 16a [PMID: 14697765]

Ligand id: 6427

Name: compound 16a [PMID: 14697765]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 39.42
Molecular weight 301.12
XLogP 4.42
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
mGlu5 receptor Allosteric modulator Negative 7.7 pIC50 - 1
pIC50 7.7 (IC50 2.2x10-8 M) [1]
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 9.1x10-8 M) [1]