Ligand id: 5665

Name: selumetinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 88.41
Molecular weight 456
XLogP 3.7
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

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mitogen-activated protein kinase kinase 1 Hs Allosteric modulator Negative 7.8 – 7.9 pIC50 - 3,6
pIC50 7.8 – 7.9 (IC50 1.41x10-8 – 1.2x10-8 M) [3,6]