chlorthalidone

Ligand id: 7147

Name: chlorthalidone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 121.36
Molecular weight 338.01
XLogP 1.81
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
carbonic anhydrase 7 Hs Inhibitor Inhibition 8.6 pKi - 1
pKi 8.6 (Ki 2.8x10-9 M) [1]
carbonic anhydrase 12 Hs Inhibitor Inhibition 8.4 pKi - 1
pKi 8.4 (Ki 4.5x10-9 M) [1]
carbonic anhydrase 4 Hs Inhibitor Inhibition 6.7 pKi - 1
pKi 6.7 (Ki 1.96x10-7 M) [1]
carbonic anhydrase 1 Hs Inhibitor Inhibition 6.5 pKi -
pKi 6.5 (Ki 3.48x10-7 M)
carbonic anhydrase 14 Hs Inhibitor Inhibition 5.4 pKi - 1
pKi 5.4 (Ki 4.13x10-6 M) [1]