[125I]epibatidine

Ligand id: 3976

Name: [125I]epibatidine    

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 24.92
Molecular weight 208.08
XLogP 1.75
No. Lipinski's rules broken 0

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 Value Parameter Concentration range (M) Reference
nicotinic acetylcholine receptor α2 subunit Rn Agonist Full agonist 10.1 – 11.0 pKd -
pKd 10.7 – 11.0 (Kd 2.1x10-11 – 1x10-11 M) α2β2
pKd 10.1 – 10.1 (Kd 8.7x10-11 – 8.4x10-11 M) α2β4
nicotinic acetylcholine receptor α3 subunit Hs Agonist Full agonist 9.6 – 11.1 pKd -
pKd 11.1 (Kd 7x10-12 M) α3β2
pKd 9.6 (Kd 2.3x10-10 M) α3β4
nicotinic acetylcholine receptor α2 subunit Hs Agonist Full agonist 10.4 pKd -
pKd 10.4 (Kd 4.2x10-11 M) α2β4
nicotinic acetylcholine receptor α4 subunit Hs Agonist Full agonist 9.7 – 11.0 pKd -
pKd 10.5 – 11.0 (Kd 3.3x10-11 – 1x10-11 M) α4β2
pKd 9.7 (Kd 1.87x10-10 M) α4β4
nicotinic acetylcholine receptor α3 subunit Rn Agonist Full agonist 9.5 – 10.9 pKd -
pKd 10.5 – 10.9 (Kd 3.4x10-11 – 1.4x10-11 M) α3β2
pKd 9.5 – 9.5 (Kd 3.04x10-10 – 2.9x10-10 M) α3β4
nicotinic acetylcholine receptor α4 subunit Rn Agonist Full agonist 9.0 – 9.5 pKd -
pKd 9.3 – 9.5 (Kd 4.6x10-10 – 3x10-10 M) α4β2
pKd 9.0 – 9.1 (Kd 9.4x10-10 – 8.5x10-10 M) α4β4