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 GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
mGlu5 receptor Rn Allosteric modulator Negative 7.0 pKi - 1
pKi 7.0 (Ki 9.1x10-8 M) [1]
mGlu5 receptor Hs Allosteric modulator Negative 7.7 pIC50 - 1
pIC50 7.7 (IC50 2.2x10-8 M) [1]