pimecrolimus

Ligand id: 6783

Name: pimecrolimus

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 158.13
Molecular weight 809.45
XLogP 4.42
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!)

Selectivity at rat enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
FK506 binding protein 1A Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6x10-9 M) [1]
Description: Indirect measurement of primary target inhibition via rotamase inhibition