bexarotene

Ligand id: 2807

Name: bexarotene

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 348.21
XLogP 10.78
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 nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Retinoid X receptor-β Agonist Agonist 7.7 pIC50 - 1-2,4
pIC50 7.7 [1-2,4]
Retinoid X receptor-γ Agonist Agonist 7.5 pIC50 - 1-2,4
pIC50 7.5 [1-2,4]
Retinoid X receptor-α Agonist Agonist 7.4 pIC50 - 1-2,4
pIC50 7.4 [1-2,4]
Peroxisome proliferator-activated receptor-γ Antagonist Antagonist ~5.5 pIC50 - 3
pIC50 ~5.5 (IC50 ~3x10-6 M) [3]
Description: Measured using a TR-FRET competitive displacement assay.
Ligand mentioned in the following text fields