Ligand id: 8318

Name: venetoclax

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 180.41
Molecular weight 867.32
XLogP 8.56
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Doherty GA, Elmore SW, Hasvold LA, Souers AJ, Tao Z-F, Wang GT, Wang L, Mantei R, Hansen TM. (2013)
Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases.
Patent number: US8580794. Assignee: Abbvie Inc.. Priority date: 26/05/2009. Publication date: 12/11/2013.
2. Souers AJ, Leverson JD, Boghaert ER, Ackler SL, Catron ND, Chen J, Dayton BD, Ding H, Enschede SH, Fairbrother WJ et al.. (2013)
ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets.
Nat. Med.19 (2): 202-8. [PMID:23291630]
3. Tian BP, Xia LX, Bao ZQ, Zhang H, Xu ZW, Mao YY, Cao C, Che LQ, Liu JK, Li W et al.. (2016)
Bcl-2 Inhibitors Reduce Steroid-insensitive Airway Inflammation.
J. Allergy Clin. Immunol.,  [Epub ahead of print]. [PMID:28043871]