bromo-deaza-SAH

Ligand id: 7018

Name: bromo-deaza-SAH

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 195.04
Molecular weight 461.04
XLogP -2.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
DOT1 like histone lysine methyltransferase Inhibitor Inhibition 7.4 pKi - 4
pKi 7.4 (Ki 3.8x10-8 M) [4]
DNA methyltransferase 1 Inhibitor Inhibition 6.0 pKi - 4
pKi 6.0 (Ki 9.5x10-7 M) [4]
DOT1 like histone lysine methyltransferase Inhibitor Inhibition 7.1 pIC50 - 4
pIC50 7.1 (IC50 7.7x10-8 M) [4]