setrobuvir

Setrobuvir (also known as ANA-598) was an experimental drug candidate for the treatment of hepatitis C that was discovered at Anadys Pharmaceuticals, which was acquired by Roche in 2011; Roche terminated development in July 2015. It was in Phase IIb clinical trials, used in combination with interferon and ribavirin, targeting hepatitis C patients with genotype 1.

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Vinony's link graph records 101 inbound references to setrobuvir, and connects out to medication, influenza and digital object identifier.

It is catalogued under topics including Abandoned drugs, Chembox image size set and Mesyl compounds.

Vinony links it to 5 Wikipedia language editions.

Chemical data

Formula: C25H25FN4O6S2
Molecular weight: 560.6 g/mol
IUPAC name: N-[3-[(1R,2S,7R,8S)-3-[(4-fluorophenyl)methyl]-4,6-dioxo-3-azatricyclo[6.2.1.02,7]undecan-5-ylidene]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C3C(=O)[C@@H]4[C@H]5CC[C@H](C5)[C@@H]4N(C3=O)CC6=CC=C(C=C6)F)NS2(=O)=O
InChIKey: VPHXUNBMNWOYNQ-RLHIPHHXSA-N
XLogP: 2
Polar surface area: 159 Å²
H-bond donors: 3
H-bond acceptors: 10
Formal charge: 0

via PubChem

Drug data · ChEMBL

Max clinical phase: Phase 2
Molecule type: Small molecule
Indications: hepatitis C virus infection, chronic hepatitis C virus infection

via ChEMBL · EBI

Wikidata facts

Subclass of: chemical compound
Mass: 560.1200

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canonical SMILES: CS(=O)(=O)NC1=CC=C2C(=C1)S(=O)(=O)N=C(N2)C3=C(C4C5CCC(C5)C4N(C3=O)CC6=CC=C(C=C6)F)O
isomeric SMILES: CS(=O)(=O)NC1=CC=C2C(=C1)S(=O)(=O)N=C(N2)C3=C([C@@H]4[C@H]5CC[C@H](C5)[C@@H]4N(C3=O)CC6=CC=C(C=C6)F)O
chemical formula: C₂₅H₂₅FN₄O₆S₂

Sources (2)

via Wikidata · CC0

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Encyclopedic overview

1 sections

Contents

References

{{Chembox | Verifiedfields = changed | Watchedfields = changed | verifiedrevid = 461749550 | Reference = | ImageFile = Setrobuvir.svg | ImageClass = skin-invert-image | ImageSize = 200px | ImageAlt = | PIN = N-(3-{(4aR,5S,8R,8aS)-1-[(4-Fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2,4a,5,6,7,8,8a-octahydro-5,8-methanoquinolin-3-yl}-1,1-dioxo-1,4-dihydro-1λ6,2,4-benzothiadiazin-7-yl)methanesulfonamide | OtherNames = ANA-598; ANA598

|Section1=

Excerpted from Wikipedia’s “setrobuvir” article, available under the CC BY-SA 4.0 licence.