compound 19 [PMID: 18800762]

Ligand id: 3193

Name: compound 19 [PMID: 18800762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 14
Topological polar surface area 164.14
Molecular weight 438.16
XLogP 2.93
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 6.2 pIC50 - 1
pIC50 6.2 (IC50 5.9x10-7 M) [1]
Description: Inhibition of human recombinant geranylgeranyl diphosphate synthase
Conditions: pH 7.0, 37°C. Concentration of substrate: 25µM FPP or GPP