compound 14 [PMID: 18800762]

Ligand id: 3194

Name: compound 14 [PMID: 18800762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 150.62
Molecular weight 437.17
XLogP 2.36
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 6.6 pIC50 - 1
pIC50 6.6 (IC50 2.8x10-7 M) [1]
Description: Inhibition of human recombinant geranylgeranyl diphosphate synthase
Conditions: pH 7.0, 37°C. Concentration of substrate: 25µM FPP or GPP