Ligand id: 6646

Name: tolcapone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 100.67
Molecular weight 273.06
XLogP 4.62
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
Catechol-O-methyltransferase Hs Inhibitor Inhibition 9.5 – 9.6 pKi - 1
pKi 9.6 (Ki 2.7x10-10 M) soluble enzyme [1]
Description: soluble enzyme
pKi 9.5 (Ki 2.9x10-10 M) membrane-bound enzyme [1]
Description: membrane-bound enzyme