adapalene

Ligand id: 5429

Name: adapalene

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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 4
Topological polar surface area 46.53
Molecular weight 412.2
XLogP 10.28
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
Adapalene is selective for the β and γ RARs over the α isoform [1].
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Retinoic acid receptor-β Hs Agonist Agonist 7.5 pKi - 1
pKi 7.5 (Ki 3.4x10-8 M) [1]
Description: Binding affinity to RARβ using [3H]CD 367 as radioligand.
Retinoic acid receptor-γ Hs Agonist Agonist 6.9 pKi - 1
pKi 6.9 (Ki 1.3x10-7 M) [1]
Description: Binding affinity to RARγ using [3H]CD 367 as radioligand.
Retinoic acid receptor-α Hs Agonist Agonist 6.0 pKi - 1
pKi 6.0 (Ki 1.1x10-6 M) [1]
Description: Binding affinity to RARα using [3H]CD 367 as radioligand.
Ligand mentioned in the following text fields