compound 16 [PMID: 18800762]

Ligand id: 3195

Name: compound 16 [PMID: 18800762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 137.92
Molecular weight 387.19
XLogP 2.43
No. Lipinski's rules broken 1

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 6.5 pIC50 - 1
pIC50 6.5 (IC50 3.5x10-7 M) [1]
Description: Inhibition of human recombinant geranylgeranyl diphosphate synthase
Conditions: pH, 7.9, 37°C. Concentration of substrate: 25µM FPP or GPP