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 GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
FK506 binding protein 1A Rn Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6x10-9 M) [1]
Description: Indirect measurement of primary target inhibition via rotamase inhibition