Ligand id: 3490

Name: aprepitant

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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

No information available.
Summary of Clinical Use
Antiemetic agent used in the treatment of nausea and vomiting associated with cancer chemotherapy. Use of aprepitant in pediatric patients was approved by the US FDA in September 2015.
Mechanism Of Action and Pharmacodynamic Effects
Aprepitant is a substance P analogue and acts as an antagonist of the neurokinin 1 receptor (NKR1). This prevents activation of NKR1 in the area of the medulla known as the vomiting center [3], and thereby reduces nausea and vomiting.
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