compound 53 [PMID: 19631533]

Ligand id: 8811

Name: compound 53 [PMID: 19631533]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 102.36
Molecular weight 447.2
XLogP 1.46
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
phosphodiesterase 5A Hs Inhibitor Inhibition 10.3 pIC50 - 1
pIC50 10.3 (IC50 5x10-11 M) [1]
phosphodiesterase 6A Hs Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 9.8x10-9 M) [1]