compound 6a [PMID: 18942826]

Ligand id: 8744

Name: compound 6a [PMID: 18942826]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 87.49
Molecular weight 167.02
XLogP 0.26
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
lysine demethylase 4A Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 7x10-7 M) [1]
Description: FDH (formaldehyde dehydrogenase) coupled assay.
lysine demethylase 4E Inhibitor Inhibition 5.8 pIC50 - 1
pIC50 5.8 (IC50 1.4x10-6 M) [1]
Description: FDH (formaldehyde dehydrogenase) coupled assay.