milrinone

Ligand id: 5225

Name: milrinone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 65.78
Molecular weight 211.07
XLogP 1.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
phosphodiesterase 5A Inhibitor Inhibition 7.3 pIC50 -
pIC50 7.3 (IC50 4.91x10-8 M)
phosphodiesterase 2A Inhibitor Inhibition <6.5 pIC50 - 2
pIC50 <6.5 (IC50 >3x10-7 M) [2]
phosphodiesterase 3A Inhibitor Inhibition 6.3 – 6.4 pIC50 - 1-2
pIC50 6.3 – 6.4 (IC50 4.5x10-7 – 4.4x10-7 M) [1-2]
phosphodiesterase 3B Inhibitor Inhibition 6.0 pIC50 - 2
pIC50 6.0 (IC50 1x10-6 M) [2]