befetupitant

Ligand id: 5759

Name: befetupitant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 45.67
Molecular weight 565.22
XLogP 8.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
NK1 receptor Antagonist Antagonist 9.0 pKi - 1
pKi 9.0 (Ki 1x10-9 M) [1]