compound 2 [PMID: 3351860]

Ligand id: 8807

Name: compound 2 [PMID: 3351860]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 3.88
Molecular weight 246.13
XLogP 7.99
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
Note that some bioactivity data may be attributed to the chloride salt (PubChem CID 44379511).
Selectivity at mouse enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
choline O-acetyltransferase Inhibitor Inhibition 6.5 pIC50 - 1
pIC50 6.5 (IC50 3.4x10-7 M) [1]