AZD7986

Ligand id: 9412

Name: AZD7986

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 103.69
Molecular weight 420.18
XLogP 3.83
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!)

Bioactivity Comments
AZD7986 has a half-life of >10 hours in plasma, does not bind to aortic tissue in vitro or in vivo (aortic binding being a liability of previously reported cathepsin C inhibitors), and is selective over other human recombinant cathepsins, other enzymes, receptors, ion channels, and transporters tested [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
cathepsin C Inhibitor Inhibition 8.6 pKd - 1
pKd 8.6 (Kd 2.5x10-9 M) [1]
Description: Surface plasmon resonance direct binding assay
cathepsin C Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 3.98x10-9 M) [1]
Description: In vitro enzyme assay
Selectivity at mouse enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
cathepsin C Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.51x10-8 M) [1]
Description: In vitro enzyme assay
Selectivity at rat enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
cathepsin C Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 1.99x10-8 M) [1]
Description: In vitro enzyme assay