compound 18 [PMID: 17888661]

Ligand id: 3212

Name: compound 18 [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 179.04
XLogP 0.49
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 Affinity Units Concentration range (M) Reference
diphosphomevalonate decarboxylase Rn Inhibitor Competitive 4.1 pIC50 - 1
pIC50 4.1 (IC50 8x10-5 M) [1]
Description: expression of rat enzyme in E coli, purification, in vitro spectrophotometric assay
Conditions: pH 7.5, 25 ÂșC