compound 19 [PMID: 17888661]

Ligand id: 3211

Name: compound 19 [PMID: 17888661]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 29.46
Molecular weight 194.06
XLogP 0.79
No. Lipinski's rules broken 0

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 Value Parameter Concentration range (M) Reference
diphosphomevalonate decarboxylase Rn Inhibitor Competitive 3.9 pIC50 - 1
pIC50 3.9 (IC50 1.2x10-4 M) [1]
Description: expression of rat enzyme in E coli, purification, in vitro spectrophotometric assay
Conditions: pH 7.5, 25 ÂșC