compound 1 [PMID: 21882820]

Ligand id: 8831

Name: compound 1 [PMID: 21882820]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 90.84
Molecular weight 317.93
XLogP 4.13
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
Structural analogues of compound 1 with increased PTPRG inhibitory activity are reported (see Tables 2 and 3) [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 G Hs Inhibitor Inhibition 5.6 pKi - 1
pKi 5.6 (Ki 2.5x10-6 M) [1]