Ligand id: 9752

Name: evobrutinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 93.37
Molecular weight 429.22
XLogP 4.11
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

Bioactivity Comments
Evobrutinib exhibits high selectivity for BTK over the EGFR and other Tec family kinases. This profile suggests that evobrutinib is likely to have a reduced potential for off-target related adverse effects compared to existing less selective BTK inhibitors like ibrutinib. The improved selectivity profile and reduced propensity to cause adverse side-effects means that evobrutinib is suitable for evaluation in non-oncology indications. In contrast, the serious side-effects profile of ibrutinib precludes its evaluation in diseases other than life-threatening cancers.
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Bruton tyrosine kinase Hs Inhibitor Inhibition >7.0 pIC50 - 3
pIC50 >7.0 (IC50 <1x10-7 M) [3]
Description: Binned value derived from a time-dependent BTK enzyme assay.