Ligand id: 9407

Name: EMD638683

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 98.66
Molecular weight 364.12
XLogP 3
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
In vitro, 1 μM EMD638683 inhibits SGK1 by 85% [1]. Other kinases inhibited by >50% include SGK2, SGK3, PRK2 and MSK1.
In vivo, short-term (24 hr) and chronic (4 weeks) EMD638683 treatment reduced blood pressure in a mouse model of hyperinsulinism/hypertension, but not in SGK1 knockout mice [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
serum/glucocorticoid regulated kinase 1 Hs Inhibitor Inhibition 5.5 pIC50 - 1
pIC50 5.5 (IC50 3x10-6 M) [1]
Description: In vitro testing