tetrodotoxin

Ligand id: 2616

Name: tetrodotoxin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 8
Rotatable bonds 1
Topological polar surface area 190.25
Molecular weight 319.1
XLogP -3.58
No. Lipinski's rules broken 2

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
Nav1.1 Hs Channel blocker Pore blocker - - 1x10-8
Conc range: 1x10-8 M
Nav1.1 Rn Channel blocker Pore blocker 8.0 pKd - 11
pKd 8.0 [11]
Voltage: -100.0 mV
Nav1.5 Rn Channel blocker Pore blocker 5.8 pKd - 5,13
pKd 5.8 (Kd 1.52x10-6 M) [5,13]
Voltage: -80.0 mV
Nav1.6 Rn Channel blocker Pore blocker 9.0 pIC50 - 7
pIC50 9.0 (IC50 1x10-9 M) [7]
Voltage: -130.0 mV
Nav1.3 Hs Channel blocker Pore blocker 8.4 pIC50 - 4
pIC50 8.4 (IC50 4x10-9 M) [4]
Nav1.7 Rn Channel blocker Pore blocker 8.4 pIC50 - 9
pIC50 8.4 [9]
Voltage: -100.0 mV
Nav1.4 Rn Channel blocker Pore blocker 8.3 pIC50 - 12
pIC50 8.3 [12]
Voltage: -120.0 mV
Nav1.6 Mm Channel blocker Pore blocker 8.2 pIC50 - 10
pIC50 8.2 [10]
Voltage: -60.0 mV
Nav1.2 Rn Channel blocker Pore blocker 8.0 pIC50 - 2
pIC50 8.0 (IC50 1.12x10-8 M) [2]
Voltage: -120.0 mV
Nav1.4 Hs Channel blocker Pore blocker 7.6 pIC50 - 3
pIC50 7.6 (IC50 2.5x10-8 M) [3]
Voltage: -120.0 mV
Nav1.7 Hs Channel blocker Pore blocker 7.6 pIC50 - 8
pIC50 7.6 (IC50 2.45x10-8 M) [8]
Voltage: -100.0 mV
Nav1.9 Rn Channel blocker Pore blocker 4.4 pIC50 - 6
pIC50 4.4 (IC50 3.9x10-5 M) [6]
Voltage: -120.0 mV
Nav1.8 Rn Channel blocker Pore blocker 4.2 pIC50 - 1
pIC50 4.2 (IC50 5.96x10-5 M) [1]
Voltage: -60.0 mV
Ligand mentioned in the following text fields