Ligand id: 7836

Name: E6201

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 116.09
Molecular weight 389.18
XLogP 2.69
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
E6201 has significant inhibitory effects on pro-inflammatory cytokine production from various immune cells, and inhibits hyperproliferation of human keratinocytes [1-3], activities which underscore its potential as a drug candidate for the treatment of psoriasis. The compound also has potential antineoplastic activity.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
mitogen-activated protein kinase kinase 1 Hs Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5.2x10-9 M) [1]
mitogen-activated protein kinase kinase kinase 1 Hs Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3.1x10-8 M) [1]