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 GtoPdb and ChEMBL (where available) across species

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
farnesyl diphosphate synthase Hs 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