2,2-difluoromevalonate 5-diphosphate

Ligand id: 3213

Name: 2,2-difluoromevalonate 5-diphosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 190.44
Molecular weight 343.99
XLogP -2.99
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 rat enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
diphosphomevalonate decarboxylase Inhibitor Competitive 5.1 pIC50 - 1
pIC50 5.1 (IC50 7.5x10-6 M) [1]
Description: expression of rat enzyme in E coli, purification, in vitro spectrophotometric assay
Conditions: pH 7.5, 25 ÂșC