chaetocin

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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Chaetocin is reported to inhibit SUV39H1 both directly, and indirectly via a reactive oxygen species (ROS)-dependent mechanism [4]. In acute myeloid leukemia (AML) cells the outcome of chaetocin exposure is death receptor-dependent apoptosis [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
suppressor of variegation 3-9 homolog 1 Hs Inhibitor Inhibition 6.1 – 7.0 pIC50 - 2-3
pIC50 6.1 – 7.0 (IC50 8x10-7 – 1.1x10-7 M) [2-3]