riluzole

Ligand id: 2326

Name: riluzole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 76.38
Molecular weight 234.01
XLogP 2.42
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 ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
KCa2.3 Activator Agonist 4.9 pEC50 - 8
pEC50 4.9 (EC50 1.25x10-5 M) [8]
KCa2.1 Activator Agonist 4.7 pEC50 - 8
pEC50 4.7 (EC50 2.1x10-5 M) [8]
Voltage: -80.0 mV
KCa3.1 Activator - 5.7 pIC50 - 8
pIC50 5.7 [8]
K2P4.1 Activator - - - - 3
studied at 1-100 µM [3]
Selectivity at rat ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
KCa2.3 Activator Agonist - - 3x10-6 - 1x10-5 4
Conc range: 3x10-6 - 1x10-5 M [4]
KCa2.2 Activator Agonist 4.9 pEC50 - 8
pEC50 4.9 (EC50 1.28x10-5 M) [8]
Kv4.3 Gating inhibitor - 3.9 pIC50 - 1
pIC50 3.9 [1]