compound 5e [PMID: 17975902]

Ligand id: 3169

Name: compound 5e [PMID: 17975902]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 147.57
Molecular weight 285
XLogP -1.85
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
farnesyl diphosphate synthase Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.64x10-8 M) [1]
Description: Inhibition of human cloned FPPS expressed in Escherichia col BL2 (DE3)
Conditions: Substrate concentration: 10µM IPP and GPP. pH 7.7, 37°C