Ligand id: 5730

Name: 4,9-anhydro-tetrodotoxin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 1
Topological polar surface area 158.26
Molecular weight 302.1
XLogP -3.37
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Nav1.6 Mm Channel blocker Inhibition 7.8 pIC50 - 1
pIC50 7.8 [1]
Voltage: -100.0 mV