alpha-ketothiazole analogue 36

Ligand id: 6549

Name: alpha-ketothiazole analogue 36

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 8
Rotatable bonds 23
Topological polar surface area 277.05
Molecular weight 722.23
XLogP 0.68
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
coagulation factor XI Hs Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3x10-8 M) [1]