Ligand id: 1010

Name: BQ788

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 18
Topological polar surface area 162.58
Molecular weight 641.38
XLogP 4.33
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
ETB receptor Hs Antagonist Antagonist 7.9 – 8.0 pKd - 1
pKd 7.9 – 8.0 (Kd 1.26x10-8 – 1x10-8 M) [1]
ETB receptor Rn Antagonist Antagonist 7.5 pKd - 1
pKd 7.5 [1]