compound 8a [PMID: 23713581]

Ligand id: 8856

Name: compound 8a [PMID: 23713581]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 109
Molecular weight 503.11
XLogP 5.93
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
IC50 for PTPN22 inhibition is 171nM [1].
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
RTP Type M Hs Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 7x10-6 M) [1]