anatibant

Ligand id: 679

Name: anatibant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 175.95
Molecular weight 710.18
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
B2 receptor Hs Antagonist Antagonist 8.2 pKi - 1
pKi 8.2 (Ki 6.31x10-9 M) [1]
B2 receptor Rn Antagonist Antagonist 7.8 pKi - 1
pKi 7.8 [1]