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Inhibitor Report for: Sofosbuvir

Name Class
SofosbuvirTypePro-Drug
Drug
Not A/B H target
Other_Name (8)
Chemical_Nomenclaturepropan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
FormulaC22H29FN3O9P
CAS_number1190307-88-0
MW529.5
PaperMurakami_2010_J.Biol.Chem_285_34337
Li_2021_Pharmaceutics_13_
Loucks_2022_Liver.Int_42_796
Eades_2022_Curr.Drug.Metab__
CommentSofosbuvir is an orally available nucleotide prodrug and a hepatitis C virus (HCV) NS5B polymerase inhibitor with potential HCV inhibiting activity. Upon oral administration, sofosbuvir is metabolized to 2'-deoxy-2'-alpha-fluoro-beta-C-methyluridine-5'-monophosphate, which is then converted into the active triphosphate nucleotide that inhibits the NS5B polymerase, thereby preventing viral replication.
Gene_locushuman-CES2
CID45375808
FamilyCarb_B_Chordata
InChIKeyTTZHDVOVKQGIBA-IQWMDFIBSA-N
CanonicalSMILESCC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3
InChIInChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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