compound 7b [Haftchenary et al., 2013]

Ligand id: 8850

Name: compound 7b [Haftchenary et al., 2013]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 126.84
Molecular weight 629.26
XLogP 8.16
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
In addition to PTP1B, compound 7b also markedly inhibits TC-PTP (non-receptor type T-cell protein tyrosine phosphatase; PTPN2; P17706) and PTPσ (receptor type tyrosine phosphatase S; PTPRS) [1].
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
RTP Type S Inhibitor Inhibition 5.4 pIC50 - 1
pIC50 5.4 (IC50 3.6x10-6 M) [1]