| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H25FN4O6S2 |
| Molecular Weight | 560.618 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12[C@@H]3CC[C@@H](C3)[C@@]1([H])C(O)=C(C(=O)N2CC4=CC=C(F)C=C4)C5=NS(=O)(=O)C6=CC(NS(C)(=O)=O)=CC=C6N5
InChI
InChIKey=DEKOYVOWOVJMPM-RLHIPHHXSA-N
InChI=1S/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,28,31H,4-5,10,12H2,1H3,(H,27,29)/t14-,15+,20+,22-/m0/s1
| Molecular Formula | C25H25FN4O6S2 |
| Molecular Weight | 560.618 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Setrobuvir (also known as ANA-598 and RG7790) is an orally administered, small-molecule non-nucleoside polymerase inhibitor, which was in development by Roche company. Setrobuvir has been used in trials studying the treatment of chronic hepatitis C. Setrobuvir is a non–nucleoside NS5B inhibitor (NNI). It has shown potency and a high degree of specificity against HCV genotype 1 NS5B polymerase, leading to 73% SVR when orally administrated to patients in combination with pegylated interferon and ribavirin. An interferon-free setrobuvir based regimes of three direct acting antivirals (DAAs) plus ribavirin has also been shown to be safe and effective in genotype 1 treatment naive patients.
Originator
Approval Year
PubMed
Patents
Sample Use Guides
Three studies investigated the pharmacokinetics and pharmacodynamics of setrobuvir. First, sequential cohorts of volunteers were randomly assigned to receive single oral doses of setrobuvir 400 to 3000 mg or placebo in a double-blind, ascending dose study. In the second study, volunteers were randomly assigned to receive multiple doses of setrobuvir (400 or 800 mg once daily [QD] or 600 mg twice a day [BID]). In the third study, patients with genotype 1 CHC received setrobuvir (200, 400, or 800 mg) or placebo BID for 3 days. Pharmacokinetics of setrobuvir appear to be dose proportional, and setrobuvir produces a mean reduction of 2.9 log10 IU/mL in HCV RNA over 3 days in patients with genotype 1 (a and b) treated with 800 mg BID.
Route of Administration:
Oral
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TARGET ORGANISM->INHIBITOR |
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TARGET -> INHIBITOR |
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