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

1. Evans E, Tester R, Aslanian S, Mazdiyasn H, Ponader S, Tesar B, Chaturvedi P, Nacht M, Stiede K, Witowski S et al.
Clinical Development of AVL - 292: A Potent, Selective Covalent Btk Inhibitor for the Treatment of B Cell Malignancies.
Accessed on 29/10/2014. Modified on 29/10/2014. http://www.celgene.com, http://www.celgene.com/content/uploads/pdf/2011_ASH_AVL-292.pdf