combretastatin A4

Ligand id: 8854

Name: combretastatin A4

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 57.15
Molecular weight 316.13
XLogP 3.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Gangjee A, Zhao Y, Raghavan S, Rohena CC, Mooberry SL, Hamel E. (2013)
Structure-activity relationship and in vitro and in vivo evaluation of the potent cytotoxic anti-microtubule agent N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-aminium chloride and its analogues as antitumor agents.
J. Med. Chem.56 (17): 6829-44. [PMID:23895532]
2. Griggs J, Metcalfe JC, Hesketh R. (2001)
Targeting tumour vasculature: the development of combretastatin A4.
Lancet Oncol.2 (2): 82-7. [PMID:11905799]
3. Lin CM, Singh SB, Chu PS, Dempcy RO, Schmidt JM, Pettit GR, Hamel E. (1988)
Interactions of tubulin with potent natural and synthetic analogs of the antimitotic agent combretastatin: a structure-activity study.
Mol. Pharmacol.34 (2): 200-8. [PMID:3412321]