ML324

Ligand id: 9584

Name: ML324

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 65.46
Molecular weight 349.18
XLogP 3.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide
Synonyms
ML-324
Database Links
BindingDB Ligand 79334
ChEMBL Ligand CHEMBL1398529
PubChem CID 44143209
Search Google for chemical match using the InChIKey QDBVSOZTVKXUES-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QDBVSOZTVKXUES
Search UniChem for chemical match using the InChIKey QDBVSOZTVKXUES-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QDBVSOZTVKXUES
Comments
ML324 is a cell-permeable, small molecule inhibitor of lysine demethylase 4 (KDM4) family of histone modifying enzymes [1]. KDM4 demethylases are responsible for the removal of H3K9 trimethylation marks from histones. The family members exhibit substantial mechanistic redundancy [2].