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Simeprevir Sodium

CHEMBL3137358 Phase 4 Aprovado Small molecule
Half-Life
—
Bioavailability
—
Protein Binding
—
Molecular Weight
771.9 g/mol
LogP
—
Phase
4

Simeprevir sodium is the sodium salt form of simeprevir, an HCV NS3/4A protease inhibitor used in combination regimens for chronic hepatitis C infection. See simeprevir for complete pharmacological details.

Peso Molecular

771,9000 g/mol

TPSA

182,00 Ų

Mecanismo de Ação

Inhibits viral protease, an enzyme essential for cleaving polyprotein precursors into functional viral proteins required for viral maturation and infectivity.

Pharmacokinetics (PK)

Pharmacodynamics (PD)

Mecanismo

Inhibits viral protease, an enzyme essential for cleaving polyprotein precursors into functional viral proteins required for viral maturation and infectivity.

Estrutura 2D

SVG PNG

Cite this structure


                        

                            
                            
                        

                    

                


                
                

                    

                    

                        
Embed this structure

                        

                        

                            
                            
                        

                    

                

                

                
                

                    
SMILES

                    
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.[Na+]

                

                

                
                

                    
InChI

                    
InChI=1S/C38H47N5O7S2.Na/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25;/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H2,41,42,44,46);/q;+1/p-1/b10-8-;/t23-,24-,27-,28-,38-;/m1./s1

                

                

                

                    
                    

                        
Molecular Formula

                        
C38H46N5NaO7S2

                    

                    
                    

                        
HBD / HBA

                        
1 / 11

                    

                    
                    

                        
Ligações Rotacionáveis

                        
8

                    

                    
                    
                    

                        
Átomos Pesados

                        
53

                    

                    
                

            


            
            

                
                


    
    
        
    
    
    
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.

    



                
            


            
            
            

                
Perguntas frequentes

                

                    
                    

                        
                        

                            
Simeprevir sodium is the sodium salt form of simeprevir, an HCV NS3/4A protease inhibitor used in combination regimens for chronic hepatitis C infection. See simeprevir for complete pharmacological details.

                        

                    

                    

                    

                    
                    

                        
                        

                            
Inhibits viral protease, an enzyme essential for cleaving polyprotein precursors into functional viral proteins required for viral maturation and infectivity.

                        

                    

                    

                    

                    

                        
                        

                            
Yes, Simeprevir Sodium 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

    
    
        
        
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                ChEMBL — European Bioinformatics Institute (EBI).
                CHEMBL3137358.
                Open-access bioactivity database.
            
        
    • 
        
        
        
  • 
            
            
                PubChem — National Center for Biotechnology Information (NCBI).
                CID 46866715.
                Chemical information database.
            
        
    • 
        
        
        
        
    

    
Data aggregated from publicly available pharmacological databases. Last updated 2026-03-28.




        


        
        
    


    



    
Aviso Médico

    

        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.