analog 3 [Vlattas et al., 1996]

Ligand id: 7994

Name: analog 3 [Vlattas et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 173.45
Molecular weight 293.01
XLogP -3.72
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 human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
diphosphomevalonate decarboxylase Inhibitor Competitive 6.1 pKi - 1
pKi 6.1 (Ki 7.5x10-7 M) [1]