Ligand id: 8685

Name: Cl-amidine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 108.07
Molecular weight 310.12
XLogP 2.33
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

Bioactivity Comments
The authors provide inhibition values as rate constants (kinact/KI) for Cl-amidine as a measure of inhibitory activity. The rate constants for PADI1 and PADI2 are 4.55x103 M-1 min-1 and 5.2x102 M-1 min-1 respectively.
NB click on the down arrow at the end of the row in the table below to reveal the rate constant.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
peptidyl arginine deiminase 4 Hs Inhibitor Inhibition - - - 2
Description: Kinact/KI = 1.77x103 M-1 min-1
peptidyl arginine deiminase 3 Hs Inhibitor Inhibition - - - 2
Description: Kinact/KI = 2.34x103 M-1 min-1