eluxadoline

Ligand id: 7691

Name: eluxadoline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 164.63
Molecular weight 569.26
XLogP 5.36
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
μ receptor Rn Agonist Agonist 9.1 pKi - 1
pKi 9.1 (Ki 9x10-10 M) [1]
δ receptor Rn Antagonist Antagonist 8.9 pKi - 1
pKi 8.9 (Ki 1.3x10-9 M) [1]
μ receptor Hs Agonist Agonist 8.8 pKi - 1
pKi 8.8 (Ki 1.7x10-9 M) [1]