BIIE0246

Ligand id: 1547

Name: BIIE0246

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 5
Rotatable bonds 19
Topological polar surface area 219.11
Molecular weight 895.45
XLogP 7.48
No. Lipinski's rules broken 3

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
Y2 receptor Rn Antagonist Antagonist 8.0 pKi - 2
pKi 8.0 [2]
Y2 receptor Hs Antagonist Antagonist 8.5 pIC50 - 1
pIC50 8.5 (IC50 3.3x10-9 M) [1]