spebrutinib

Ligand id: 7837

Name: spebrutinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 97.4
Molecular weight 423.17
XLogP 3.04
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
Bruton tyrosine kinase Hs Inhibitor Inhibition >9.3 pIC50 - 1
pIC50 >9.3 (IC50 <5x10-10 M) [1]
YES proto-oncogene 1, Src family tyrosine kinase Hs Inhibitor Inhibition 6.1 pIC50 - 1
pIC50 6.1 (IC50 7.23x10-7 M) [1]