compound 30 [PMID: 23414845]

Ligand id: 7864

Name: compound 30 [PMID: 23414845]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 75.61
Molecular weight 410.18
XLogP 5.07
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
In vitro, compound 30 inhibits autophosphorylation of PTK2 with and IC50 of 7.1μM [7] in prostate cancer cells.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
protein tyrosine kinase 2 Hs Inhibitor Inhibition 6.2 pIC50 - 7
pIC50 6.2 (IC50 6.4x10-7 M) [7]