fosaprepitant

Ligand id: 7623

Name: fosaprepitant

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 133.41
Molecular weight 615.12
XLogP 7.12
No. Lipinski's rules broken 1

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
NK1 receptor Hs Antagonist Antagonist 8.9 pIC50 - 1
pIC50 8.9 (IC50 1.2x10-9 M) [1]
Ligand mentioned in the following text fields