aliskiren

Ligand id: 4812

Name: aliskiren

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 20
Topological polar surface area 146.13
Molecular weight 551.39
XLogP 3.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
OATP2B1
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
renin Inhibitor Inhibition 9.2 pIC50 - 1
pIC50 9.2 (IC50 6x10-10 M) [1]