dibutyl phthalate

Ligand id: 6295

Name: dibutyl phthalate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 52.6
Molecular weight 278.15
XLogP 5.03
No. Lipinski's rules broken 1

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 4.6 pEC50 - 1
pEC50 4.6 [1]
Description: Calcium imaging
Conditions: CHO cells stably expressing human TRPA1 loaded with Fluo-4