deoxycholic acid

Ligand id: 610

Name: deoxycholic acid

Abbreviated name: DCA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 77.76
Molecular weight 392.29
XLogP 5.76
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!)

Natural/Endogenous Targets
Target
GPBA receptor
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
FPR1 Antagonist Antagonist 4.0 pKi - 1
pKi 4.0 [1]
GPBA receptor Agonist Full agonist 6.2 pEC50 - 5
pEC50 6.2 [5]
Selectivity at unknown species nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Farnesoid X receptor Agonist Agonist 4.0 pEC50 - 3,6-7
pEC50 4.0 [3,6-7]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference