CEP-33779

Ligand id: 9387

Name: CEP-33779

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 91.22
Molecular weight 462.18
XLogP 3.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
CEP-33779 inhibits JAK2 in whole cell assay with an IC50 of 61nM [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Janus kinase 2 Hs Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 1.8x10-9 M) [1]
Janus kinase 3 Hs Inhibitor Inhibition 6.8 pIC50 - 1
pIC50 6.8 (IC50 1.5x10-7 M) [1]