compound 8 [PMID: 17480064]

Ligand id: 8763

Name: compound 8 [PMID: 17480064]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 57.78
Molecular weight 213.09
XLogP 1.02
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
MSK2 (ribosomal protein S6 kinase, 90kDa, polypeptide 4, RPS6KA4) is reported as an off-target of compound 8 [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
mitogen-activated protein kinase-activated protein kinase 2 Hs Inhibitor Inhibition 6.8 pIC50 - 1
pIC50 6.8 (IC50 1.71x10-7 M) [1]
ribosomal protein S6 kinase A4 Hs Inhibitor Inhibition 5.5 pIC50 - 1
pIC50 5.5 (IC50 3.01x10-6 M) [1]