chlorobenzylidene malononitrile

Ligand id: 4158

Name: chlorobenzylidene malononitrile

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 47.58
Molecular weight 188.01
XLogP 2.69
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
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Target Type Action Affinity Units Concentration range (M) Reference
TRPA1 Activator Activation 6.7 pEC50 - 1
pEC50 6.7 (EC50 1.99x10-7 M) covalent [1]
Description: Calcium imaging
Conditions: HEK293 cells expressing human TRPA1 loaded with Fluo-4.