(2E, 6E)-farnesylbisphosphonate

Ligand id: 3200

Name: (2E, 6E)-farnesylbisphosphonate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 134.68
Molecular weight 380.15
XLogP 1.89
No. Lipinski's rules broken 0

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
geranylgeranyl diphosphate synthase Inhibitor Inhibition 7.0 pIC50 - 1
pIC50 7.0 (IC50 1x10-7 M) [1]
Description: Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria
Conditions: Concentrations of substrates: 20µM FPP, 40µM IPP in 35µL buffer. pH 7.5, 37°C