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 GtoPdb and ChEMBL (where available) across species

Natural/Endogenous Targets
Target
GPBA receptor
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
FPR1 Hs Antagonist Antagonist 4.0 pKi - 1
pKi 4.0 [1]
GPBA receptor Hs Agonist Full agonist 6.2 pEC50 - 5
pEC50 6.2 [5]
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
Farnesoid X receptor N/A 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