Ligand id: 9177

Name: AC430

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 86.72
Molecular weight 349.13
XLogP 4.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
Patent US8703943 [1] does not provide inhibitory constants for the compounds vs. janus kinase enzymes. It also suggests that AC430 acts as an antagonist of the adenosine A3 receptor with an IC50 value of 28nM (Ki 26nM).
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Janus kinase 2 Hs Inhibitor Inhibition - - - 1