CHEBI:85083 - sofosbuvir

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sofosbuvir
ChEBI ID CHEBI:85083
Definition A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB4104636, eMolecules:508648, eMolecules:475186
Download Molfile XML SDF
Wikipedia License
Sodium chloride , commonly known as edible salt, is an ionic compound with the chemical formula NaCl, representing a 1:1 ratio of sodium and chlorine ions. It is transparent or translucent, brittle, hygroscopic, and occurs as the mineral halite. In its edible form, it is commonly used as a condiment and food preservative. Large quantities of sodium chloride are used in many industrial processes, and it is a major source of sodium and chlorine compounds used as feedstocks for further chemical syntheses. Another major application of sodium chloride is deicing of roadways in sub-freezing weather.
Read full article at Wikipedia
Formula C22H29FN3O9P
Net Charge 0
Average Mass 529.45250
Monoisotopic Mass 529.16254
InChI InChI=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
InChIKey TTZHDVOVKQGIBA-IQWMDFIBSA-N
SMILES CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1
Roles Classification
Biological Role(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
hepatitis C protease inhibitor
An inhibitor of hepatitis C protease, an enzyme required for production of proteins needed for viral assembly.
Application(s): prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sofosbuvir (CHEBI:85083) has functional parent uridine 5'-monophosphate (CHEBI:16695)
sofosbuvir (CHEBI:85083) has role antiviral drug (CHEBI:36044)
sofosbuvir (CHEBI:85083) has role hepatitis C protease inhibitor (CHEBI:64924)
sofosbuvir (CHEBI:85083) has role prodrug (CHEBI:50266)
sofosbuvir (CHEBI:85083) is a L-alanyl ester (CHEBI:61164)
sofosbuvir (CHEBI:85083) is a isopropyl ester (CHEBI:35725)
sofosbuvir (CHEBI:85083) is a nucleotide conjugate (CHEBI:47784)
sofosbuvir (CHEBI:85083) is a organofluorine compound (CHEBI:37143)
sofosbuvir (CHEBI:85083) is a phosphoramidate ester (CHEBI:27577)
Incoming Epclusa (CHEBI:133008) has part sofosbuvir (CHEBI:85083)
Harvoni (CHEBI:85082) has part sofosbuvir (CHEBI:85083)
Synonyms Sources
GI 7977 ChemIDplus
GS-7977 ChemIDplus
isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate IUPAC
PSI 7977 ChemIDplus
PSI-7977 ChemIDplus
Brand Name Source
Sovaldi ChemIDplus
Manual Xrefs Databases
4811 DrugCentral
D10366 KEGG DRUG
Sofosbuvir Wikipedia
View more database links
Registry Numbers Types Sources
1190307-88-0 CAS Registry Number ChemIDplus
1190307-88-0 CAS Registry Number KEGG DRUG
20867484 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
09 March 2018