PF-543

Ligand id: 6623

Name: PF-543

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 75.22
Molecular weight 465.2
XLogP 4.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
sphingosine kinase 1 Hs Inhibitor Inhibition 8.4 pKi - 2
pKi 8.4 (Ki 3.6x10-9 M) [2]
sphingosine kinase 1 Hs Inhibitor Inhibition 8.6 – 8.7 pIC50 - 1-2
pIC50 8.7 (IC50 2x10-9 M) [2]
pIC50 8.6 (IC50 2.7x10-9 M) [1]
sphingosine kinase 2 Hs Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 3.56x10-7 M) [1]