Ligand id: 9686

Name: tapinarof

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 40.46
Molecular weight 254.13
XLogP 5.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Tapinarof inhibits proinflammatory cytokine expression in vitro and exhibits anti-inflammatory effects in vivo [2].
Selectivity at other protein targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Aryl hydrocarbon receptor Hs Agonist Agonist 6.7 – 7.0 pKd - 2
pKd 6.7 – 7.0 (Kd 2x10-7 – 1x10-7 M) [2]
Description: Direct binding of tapinarof to the AhR-ARNT heterodimer by fluorescence assay.