allicin

Ligand id: 2419

Name: allicin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 61.58
Molecular weight 162.02
XLogP 0.24
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 ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPA1 Mm Activator Agonist 5.9 pEC50 - 2
pEC50 5.9 [2]
Voltage: Physiological
TRPA1 Hs Activator Agonist 5.1 pEC50 - 1
pEC50 5.1 (EC50 7.943x10-6 M) covalent [1]
Voltage: Physiological
TRPV1 Rn Activator Agonist 3.9 – 4.6 pEC50 - 2
pEC50 3.9 – 4.6 [2]
Voltage: Physiological
TRPV1 Hs Channel blocker - - - -
Ligand mentioned in the following text fields