Ligand id: 8318

Name: venetoclax

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 180.41
Molecular weight 867.32
XLogP 9.38
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. FDA. 
FDA approves venetoclax for CLL or SLL, with or without 17 p deletion, after one prior therapy.
Accessed on 18/06/2018. Modified on 18/06/2018.,
3. Seymour JF, Kipps TJ, Eichhorst B, Hillmen P, D'Rozario J, Assouline S, Owen C, Gerecitano J, Robak T, De la Serna J et al.. (2018)
Venetoclax-Rituximab in Relapsed or Refractory Chronic Lymphocytic Leukemia.
N. Engl. J. Med., 378 (12): 1107-1120. [PMID:29562156]
4. 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]
5. Tian BP, Xia LX, Bao ZQ, Zhang H, Xu ZW, Mao YY, Cao C, Che LQ, Liu JK, Li W et al.. (2017)
Bcl-2 inhibitors reduce steroid-insensitive airway inflammation.
J. Allergy Clin. Immunol., 140 (2): 418-430. [PMID:28043871]