aconitine

Ligand id: 2617

Name: aconitine

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 153.45
Molecular weight 645.31
XLogP 0.49
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
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Nav1.5 Hs Activator Partial agonist - - 3x10-5 - 1x10-4 2-3
Conc range: 3x10-5 - 1x10-4 M [2-3]
Voltage: -140.0 mV
Nav1.2 Rn Activator Partial agonist 5.9 pKd - 1
pKd 5.9 [1]
Voltage: Physiological