Ligand id: 8388

Name: chaetocin

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 246.96
Molecular weight 696.1
XLogP -1.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Chaib H, Nebbioso A, Prebet T, Castellano R, Garbit S, Restouin A, Vey N, Altucci L, Collette Y. (2012)
Anti-leukemia activity of chaetocin via death receptor-dependent apoptosis and dual modulation of the histone methyl-transferase SUV39H1.
Leukemia, 26 (4): 662-74. [PMID:21979880]
2. Cherblanc FL, Chapman KL, Brown R, Fuchter MJ. (2013)
Chaetocin is a nonspecific inhibitor of histone lysine methyltransferases.
Nat. Chem. Biol., 9 (3): 136-7. [PMID:23416387]
3. Greiner D, Bonaldi T, Eskeland R, Roemer E, Imhof A. (2005)
Identification of a specific inhibitor of the histone methyltransferase SU(VAR)3-9.
Nat. Chem. Biol., 1 (3): 143-5. [PMID:16408017]
4. Isham CR, Tibodeau JD, Jin W, Xu R, Timm MM, Bible KC. (2007)
Chaetocin: a promising new antimyeloma agent with in vitro and in vivo activity mediated via imposition of oxidative stress.
Blood, 109 (6): 2579-88. [PMID:17090648]