digoxin

Ligand id: 4726

Name: digoxin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 6
Rotatable bonds 7
Topological polar surface area 203.06
Molecular weight 780.43
XLogP 2.17
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

Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
OATP1B3
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
sodium/potassium-transporting ATPase subunit α-1 Clf Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 4x10-7 M) [1]
sodium/potassium-transporting ATPase subunit α-1 Hs Inhibitor Inhibition - - -
Ligand mentioned in the following text fields