compound 1e [Brown et al., 1997]

Ligand id: 3089

Name: compound 1e [Brown et al., 1997]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 49.77
Molecular weight 367.21
XLogP 5.28
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
squalene synthase Rn Inhibitor Inhibition 8.7 pKi - 1
pKi 8.7 (Ki 2x10-9 M) [1]
Description: Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)