compound 35 [PMID: 24157366]

Ligand id: 8554

Name: compound 35 [PMID: 24157366]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 54.46
Molecular weight 585.12
XLogP 6.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
The affinity of this compound for hERG excludes its clinical utility, but it may be a useful tool in mouse models where hERG-induced depolarisation is not such an issue.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Prolylcarboxypeptidase Hs Inhibitor Inhibition 10.1 pIC50 - 1
pIC50 10.1 (IC50 7.9x10-11 M) [1]