Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H23FN2O5S |
Molecular Weight | 446.492 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC(=O)C1=C(OC2=C1C=C(C3CC3)C(=C2)N(CCO)S(C)(=O)=O)C4=CC=C(F)C=C4
InChI
InChIKey=WTDWVLJJJOTABN-UHFFFAOYSA-N
InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL5375 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18559648 |
0.081 µM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
Overview
CYP3A4 | CYP2C9 | CYP2D6 | hERG |
---|---|---|---|
OverviewOther
Other Inhibitor | Other Substrate | Other Inducer |
---|---|---|
Drug as perpetrator
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
no | ||||
yes [IC50 10.684 uM] | ||||
yes [IC50 13.4504 uM] |
Drug as victim
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
no |
PubMed
Title | Date | PubMed |
---|---|---|
Existence of hepatitis C virus NS5B variants naturally resistant to non-nucleoside, but not to nucleoside, polymerase inhibitors among untreated patients. | 2008 Jun |
|
Molecular mechanism of hepatitis C virus replicon variants with reduced susceptibility to a benzofuran inhibitor, HCV-796. | 2008 Sep |
|
Severe hepatocellular injury with apoptosis induced by a hepatitis C polymerase inhibitor. | 2009 Apr |
|
Mechanisms of activity and inhibition of the hepatitis C virus RNA-dependent RNA polymerase. | 2010 Apr 30 |
|
The hepatitis C virus (HCV) NS4B RNA binding inhibitor clemizole is highly synergistic with HCV protease inhibitors. | 2010 Jul 1 |
|
In vitro efficacy of approved and experimental antivirals against novel genotype 3 hepatitis C virus subgenomic replicons. | 2013 Nov |
|
In vitro characterization of GSK2485852, a novel hepatitis C virus polymerase inhibitor. | 2013 Nov |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT00367887
Nesbuvir is administered at a dose of 500 mg, every 12 hours for 48 weeks (in combination with rebetol and peg-intron).
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18559648
Cells bearing a genotype 1b HCV replicon were treated multiple times with 0.1 and 1 uM nesbuvir. At the end of the 16-day treatment, about 3.6 log10 and 4.2 log10 reductions of HCV RNA levels were observed, respectively. The concentration of the compound that inhibited 50% of the HCV RNA level was 9 nM.
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C281
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NCI_THESAURUS |
C25995
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8961
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11561383
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691852-58-1
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EYK815W3Z8
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C76498
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SUB35634
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CHEMBL1092581
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TT-60
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C539481
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DB07238
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DTXSID90219225
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100000128527
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ACTIVE MOIETY