risedronate

Ligand id: 3176

Name: risedronate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 167.8
Molecular weight 283
XLogP -3
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
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
farnesyl diphosphate synthase Inhibitor Inhibition 7.1 – 9.4 pKi - 2
pKi 9.4 (Ki 3.6x10-10 M) [2]
Description: Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins
Conditions: Concentration of substrates: 10µM GPP and IPP in a volume of 100µL. pH 7.5, 37°C. final Ki
pKi 7.1 (Ki 8.22x10-8 M) [2]
Description: Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins
Conditions: Concentration of substrates: 10µM GPP and IPP in a volume of 100µL. pH 7.5, 37°C. initial Ki
farnesyl diphosphate synthase Inhibitor Inhibition 6.3 – 8.4 pIC50 - 1-3
pIC50 8.4 (IC50 3.9x10-9 M) [1]
pIC50 8.2 (IC50 5.7x10-9 M) [2]
Description: Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins
Conditions: pH 7.7, 37°C. final IC50
pIC50 8.2 (IC50 5.7x10-9 M) [3]
Description: in vitro assay, inhibition of recombinant human enzyme expressed in E.coli
Conditions: pH 7.7, 37ºC.
pIC50 8.0 (IC50 1x10-8 M) [3]
Description: In vitro inhibition of recombinant human FDPS expressed in E.coli.
Conditions: pH 7.7, 37ºC.
pIC50 6.3 (IC50 4.529x10-7 M) [2]
Description: Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins
Conditions: pH 7.7, 37°C. initial IC50