4,9-anhydro-tetrodotoxin

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 ChEMBL and GtoPdb across species (New!)

Selectivity at mouse ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
Nav1.6 Channel blocker Inhibition 7.8 pIC50 - 1
pIC50 7.8 [1]
Voltage: -100.0 mV