glycochenodeoxycholic acid

Ligand id: 4545

Name: glycochenodeoxycholic acid

Abbreviated name: GCDA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 106.86
Molecular weight 449.31
XLogP 5.35
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

Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Sodium/bile acid and sulphated solute cotransporter 2 2
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
ABCB11 Hs None Binding 5.2 pKi - 1
pKi 5.2 (Ki 7x10-6 M) [1]
Description: Measuring competitive inhibition of taurocholate uptake.
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference