BPH-628

Ligand id: 3188

Name: BPH-628

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 154.91
Molecular weight 434.07
XLogP 5.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
geranylgeranyl diphosphate synthase Hs Inhibitor Inhibition 6.1 pIC50 - 1-2
pIC50 6.1 (IC50 7.2x10-7 M) [1]
Description: Inhibition of human GGPPS; radiometric assay
Conditions: pH 7.0, 37°C. Concentration of substrate: 25µM GPP or FPP.
pIC50 6.1 (IC50 7.2x10-7 M) [2]
Description: Inhibition of human recombinant geranylgeranyl diphosphate synthase
Conditions: pH 7.0, 37°C. Concentration of substrate: 25µM FPP or GPP