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

1. Tam C, Grigg AP, Opat S, Ku M, Gilbertson M, Anderson MA, Seymour JF, Ritchie DS, Dicorleto C, Dimovska B et al.. (2015)
The BTK Inhibitor, Bgb-3111, Is Safe, Tolerable, and Highly Active in Patients with Relapsed/ Refractory B-Cell Malignancies: Initial Report of a Phase 1 First-in-Human Trial.
Blood, 126: 832.
2. Wang Z, Guo Y. (2015)
Protein Kinase Inhibitors and Uses Thereof.
Patent number: US20150005277. Assignee: Beigene, Ltd.. Priority date: 28/06/2013. Publication date: 01/01/2015.