Ligand id: 9591

Name: BGB-3111

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 116.47
Molecular weight 431.2
XLogP 3.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Phase 1 clinical trial NCT02795182 is evaluating BGB-3111 in combination with BeiGene's investigational anti-PD-1 checkpoint mAb, BGB-A317 for clinical utility against B-cell malignancies. Phase 1 results examining BGB-3111 as a single agent are reported by Tam et al. (2015) [1].
Mechanism Of Action and Pharmacodynamic Effects
BTK is a downstream intermediary of B cell receptor (BCR) signaling, inhibition of which has been shown to have clinical utility against B cell malignancies (e.g. ibrutinib). BGB-3111 is more selective than ibrutinib, so should be less likely to cause some of the side effects associated with ibrutinib, and is predicted to overcome treatment-induced resistance to ibrutinib.