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Aprepitant

CHEMBL1471 Phase 4 已批准 Small molecule
Half-Life
—
Bioavailability
—
Protein Binding
—
Molecular Weight
534.4 g/mol
LogP
4.2
Phase
4

A substance P/neurokinin-1 receptor antagonist that blocks signals in the brain that trigger nausea and vomiting, commonly used to prevent chemotherapy-induced and postoperative nausea. It is often combined with other antiemetic drugs for maximum effectiveness.

分子量

534.4000 g/mol

LogP

4.20

TPSA

75.20 Ų

Lipinski 五规则

不符合

治疗领域

Ovarian Cancer Pancreatic Cancer Bladder Cancer Thyroid Cancer Non-Small Cell Lung Cancer Chronic Obstructive Pulmonary Disease Generalized Anxiety Disorder Oncology Obesity Lymphoma Type 2 Diabetes Hypertension Major Depressive Disorder Breast Cancer Heart Failure Prostate Cancer Colorectal Cancer Leukemia

作用机制

Competitively binds to its target receptor without activating it, blocking the natural ligand from binding and preventing receptor-mediated signaling.

Pharmacokinetics (PK)

Pharmacodynamics (PD)

机制

Competitively binds to its target receptor without activating it, blocking the natural ligand from binding and preventing receptor-mediated signaling.

二维结构

SVG PNG

Cite this structure


                        

                            
                            
                        

                    

                


                
                

                    

                    

                        
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SMILES

                    
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

                

                

                
                

                    
InChI

                    
InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1

                

                

                

                    
                    

                        
Molecular Formula

                        
C23H21F7N4O3

                    

                    
                    

                        
HBD / HBA

                        
2 / 12

                    

                    
                    

                        
可旋转键数

                        
6

                    

                    
                    
                    

                        
重原子数

                        
37

                    

                    
                

            


            
            

                
                


    
    
        
    
    
    
No targets recorded

    
    
Target interaction data is not yet available for this drug.

    



                
            


            
            

                
                


    
    
        
    
    
    
No interactions recorded

    
    
Drug interaction data is not yet available for this compound.

    



                
            


            
            

                
                


    
    
        
    
    
    
No side effects recorded

    
    
Side effect data is not yet available for this drug.

    



                
            


            
            
            

                
常见问题

                

                    
                    

                        
                        

                            
A substance P/neurokinin-1 receptor antagonist that blocks signals in the brain that trigger nausea and vomiting, commonly used to prevent chemotherapy-induced and postoperative nausea. It is often combined with other antiemetic drugs for maximum effectiveness.

                        

                    

                    

                    

                    
                    

                        
                        

                            
Competitively binds to its target receptor without activating it, blocking the natural ligand from binding and preventing receptor-mediated signaling.

                        

                    

                    

                    

                    

                        
                        

                            
Yes, Aprepitant is an approved drug. It has reached clinical phase 4. It is classified as a Small molecule.

                        

                    

                

            

            

            
            

            
            

            
            
{# References & Data Sources section for drug detail pages.
   Renders standard pharmacological database links plus the drug's data_sources field. #}


    
References & Data Sources

    
    
        
        
  • 
            
            
                ChEMBL — European Bioinformatics Institute (EBI).
                CHEMBL1471.
                Open-access bioactivity database.
            
        
    • 
        
        
        
  • 
            
            
                PubChem — National Center for Biotechnology Information (NCBI).
                CID 135413536.
                Chemical information database.
            
        
    • 
        
        
        
        
    

    
Data aggregated from publicly available pharmacological databases. Last updated 2026-03-04.




        


        
        
    


    



    
医疗免责声明

    

        This content is for educational and informational purposes only. It is not a substitute for professional medical advice, diagnosis, or treatment. Always consult a qualified healthcare provider before making medication decisions.
    

    

        Data sources:
        ChEMBL,
        PubChem,
        DailyMed.