aminobenzovesamicol

Ligand id: 4768

Name: aminobenzovesamicol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 26.71
Molecular weight 476.13
XLogP 6.62
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!)

Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Vesicular acetylcholine transporter Inhibitor Inhibition 10.9 pKi - 1
pKi 10.9 (Ki 1.3x10-11 M) [1]