aprepitant

Ligand id: 3490

Name: aprepitant

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: aprepitant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 74.86
Molecular weight 535.16
XLogP 6.83
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 10.1 pKi - 1-2
pKi 10.1 (Ki 9x10-11 M) [1-2]
Ligand mentioned in the following text fields