Ligand id: 3198

Name: BPH-252

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 10
Topological polar surface area 154.91
Molecular weight 318.1
XLogP 0.53
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
geranylgeranyl diphosphate synthase Inhibitor Inhibition 6.1 – 6.2 pIC50 - 1-2
pIC50 6.2 (IC50 7.1x10-7 M) [1]
Description: Inhibition of human recombinant geranylgeranyl diphosphate synthase
Conditions: pH 7.0, 37°C. Concentration of substrate: 25µM FPP or GPP
pIC50 6.1 (IC50 7.2x10-7 M) [2]
Description: Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).
Conditions: Concentration of substrates: 25µM GPP or FPP, addition of 1.5µL of a 0.35mM solution of IPP. pH 7.9, 37°C