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 GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
lysine demethylase 4A Hs Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 7x10-7 M) [1]
Description: FDH (formaldehyde dehydrogenase) coupled assay.
lysine demethylase 4E Hs Inhibitor Inhibition 5.8 pIC50 - 1
pIC50 5.8 (IC50 1.4x10-6 M) [1]
Description: FDH (formaldehyde dehydrogenase) coupled assay.