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

References
1. Rosker C, Lohberger B, Hofer D, Steinecker B, Quasthoff S, Schreibmayer W. (2007)
The TTX metabolite 4,9-anhydro-TTX is a highly specific blocker of the Na(v1.6) voltage-dependent sodium channel.
Am. J. Physiol., Cell Physiol.293 (2): C783-9. [PMID:17522141]