tretinoin

Ligand id: 2644

Name: tretinoin

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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 5
Topological polar surface area 37.3
Molecular weight 300.21
XLogP 6.25
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!)

Bioactivity Comments
All-trans-retinoic acid appears to have highest affinity for retinioc acid receptor-β [2].
Natural/Endogenous Targets
Target
Retinoic acid receptor-α
Retinoic acid receptor-β
Retinoic acid receptor-γ
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
Retinoic acid receptor-γ Agonist Agonist 9.6 pKd - 1,3-5,9
pKd 9.6 [1,3-5,9]
Retinoic acid receptor-α Agonist Agonist 9.4 pKd - 1,3-5,9
pKd 9.4 [1,3-5,9]
Peroxisome proliferator-activated receptor-β/δ Agonist Full agonist 7.8 pKd - 7
pKd 7.8 [7]
Retinoic acid receptor-β Agonist Agonist 9.4 pKi - 3-5,9
pKi 9.4 [3-5,9]
RAR-related orphan receptor-β Antagonist Antagonist 6.6 pKi - 8
pKi 6.6 [8]
Retinoic acid receptor-γ Agonist Agonist 9.7 pEC50 - 2
pEC50 9.7 (EC50 2x10-10 M) [2]
Retinoic acid receptor-β Agonist Agonist 7.9 pEC50 - 2
pEC50 7.9 (EC50 1.2x10-8 M) [2]
Retinoic acid receptor-α Agonist Agonist 7.8 pEC50 - 2
pEC50 7.8 (EC50 1.7x10-8 M) [2]
Testicular receptor 4 Agonist Full agonist 4.6 pEC50 - 10
pEC50 4.6 (EC50 2.38x10-5 M) [10]
RAR-related orphan receptor-β Antagonist Antagonist 9.8 pIC50 - 8
pIC50 9.8 [8]
RAR-related orphan receptor-β Agonist Agonist - - - 8
[8]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields