crotylaldehyde

Ligand id: 6288

Name: crotylaldehyde

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 17.07
Molecular weight 70.04
XLogP 0.82
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 rat ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TRPA1 Activator Activation 4.6 pEC50 - 1
pEC50 4.6 [1]
Description: Calcium imaging
Conditions: HEK293 cells expressing rat TRPA1 loaded with Fura-2
Ligand mentioned in the following text fields