compound 2 [PMID: 18295483]

Ligand id: 3156

Name: compound 2 [PMID: 18295483]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 69.64
Molecular weight 390.19
XLogP 7.47
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
farnesyl diphosphate synthase Inhibitor Inhibition 5.1 pIC50 - 1
pIC50 5.1 (IC50 8x10-6 M) [1]
Description: Inhibition of human FPPS
Conditions: Concentrations of substrates: 8µM DMAPP and 16µM IPP. pH 7.3