tolrestat

Ligand id: 7404

Name: tolrestat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 81.86
Molecular weight 357.06
XLogP 4.41
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
aldo-keto reductase family 1 member B Inhibitor Inhibition 7.3 pIC50 - 2
pIC50 7.3 (IC50 4.7x10-8 M) [2]