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

No information available.
Mechanism Of Action and Pharmacodynamic Effects
S-adenosylhomocysteine (SAH) is a product of SAM (S-adenosyl methionine)-dependent methyltransferase activity, which feeds-back to inhibit these methyltransferases. Bromo-deaza-SAH is an analogue of SAH which mimics the effect of SAH on the enzymatic activity of the lysine methyltransferase, DOT1L (aka KMT4) and which is 8-fold more potent than SAH [4]. By inhibiting DOT1L activity, bromo-deaza-SAH should reduce the aberrant methylation of lysine 79 of histone H3 (H3K79), which is associated with some lymphoid leukemias [1-3].