temsirolimus

Ligand id: 5892

Name: temsirolimus

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 241.96
Molecular weight 1029.6
XLogP 3.54
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
mechanistic target of rapamycin kinase Inhibitor Inhibition 5.8 pIC50 - 1
pIC50 5.8 (IC50 1.76x10-6 M) [1]