Ligand id: 3215

Name: farnesol

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 20.23
Molecular weight 222.2
XLogP 4.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mevalonate kinase Hs Inhibitor Competitive 4.1 pKi - 1
pKi 4.1 (Ki 7.2x10-5 M) [1]
Description: recombinant enzyme expressed in E coli cells. Spectrophotometric assay
Conditions: pH 7.0, 25°C. Saturating concentrations of substrates, 0.16-5mM ATP