compound 31 [PMID: 17963374]

Ligand id: 3152

Name: compound 31 [PMID: 17963374]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 137.51
Molecular weight 376.12
XLogP 2.68
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 6.5 pIC50 - 1
pIC50 6.5 [1]
Description: Inhibition of human FPPS, measured through inhibition of tumour cell growth in NCI-H460 cell line . Not a direct enzyme inhibition assay.