compound 19 [PMID: 17888661]

Ligand id: 3211

Name: compound 19 [PMID: 17888661]

Structure and Physico-chemical Properties

2D Structure
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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

Selectivity at enzymes
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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