all-trans-4-oxo-retinoic acid

Ligand id: 2741

Name: all-trans-4-oxo-retinoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 54.37
Molecular weight 314.19
XLogP 4.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
α2C-adrenoceptor Antagonist Antagonist 7.7 pKi - 1
pKi 7.7 (Ki 1.8x10-8 M) [1]
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
RAR-related orphan receptor-β Antagonist Antagonist 6.1 pKi - 2
pKi 6.1 [2]
RAR-related orphan receptor-β Antagonist Antagonist 9.3 pIC50 - 2
pIC50 9.3 [2]