Setrobuvir

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Setrobuvir
DrugBank Accession Number
DB12051
Background

Setrobuvir has been used in trials studying the treatment of Hepatitis C, Chronic.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 560.62
Monoisotopic: 560.119955052
Chemical Formula
C25H25FN4O6S2
Synonyms
  • Setrobuvir
External IDs
  • ANA-598
  • ANA598
  • RO-5466731
  • RO5466731

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Medicalerrors
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AcarboseThe therapeutic efficacy of Acarbose can be increased when used in combination with Setrobuvir.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be increased when used in combination with Setrobuvir.
AlbiglutideThe therapeutic efficacy of Albiglutide can be increased when used in combination with Setrobuvir.
AlogliptinThe therapeutic efficacy of Alogliptin can be increased when used in combination with Setrobuvir.
BenzylpenicillinSetrobuvir may decrease the excretion rate of Benzylpenicillin which could result in a higher serum level.
BromocriptineThe therapeutic efficacy of Bromocriptine can be increased when used in combination with Setrobuvir.
CanagliflozinThe therapeutic efficacy of Canagliflozin can be increased when used in combination with Setrobuvir.
ChlorpropamideThe therapeutic efficacy of Chlorpropamide can be increased when used in combination with Setrobuvir.
CholestyramineCholestyramine can cause a decrease in the absorption of Setrobuvir resulting in a reduced serum concentration and potentially a decrease in efficacy.
ColesevelamColesevelam can cause a decrease in the absorption of Setrobuvir resulting in a reduced serum concentration and potentially a decrease in efficacy.
Interactions
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Thiadiazines
Sub Class
Benzothiadiazines
Direct Parent
1,2,4-benzothiadiazine-1,1-dioxides
Alternative Parents
Aromatic monoterpenoids / Sulfanilides / Fluorobenzenes / Aryl fluorides / Imidolactams / Organic sulfonamides / Organosulfonamides / Tertiary carboxylic acid amides / Aminosulfonyl compounds / Vinylogous acids
show 9 more
Substituents
1,2,4-benzothiadiazine-1,1-dioxide / Amidine / Amine / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aromatic monoterpenoid / Aryl fluoride / Aryl halide / Azacycle / Benzenoid
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
T5B2GI8F84
CAS number
1071517-39-9
InChI Key
DEKOYVOWOVJMPM-RLHIPHHXSA-N
InChI
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
IUPAC Name
N-{3-[(1R,2S,7R,8S)-3-[(4-fluorophenyl)methyl]-6-hydroxy-4-oxo-3-azatricyclo[6.2.1.0^{2,7}]undec-5-en-5-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl}methanesulfonamide
SMILES
CS(=O)(=O)NC1=CC=C2NC(=NS(=O)(=O)C2=C1)C1=C(O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2N(CC2=CC=C(F)C=C2)C1=O

References

General References
Not Available
PubChem Compound
126843190
PubChem Substance
347828362
ChemSpider
24680206
ChEMBL
CHEMBL1076263
Wikipedia
Setrobuvir

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection2
2CompletedTreatmentHepatitis C Virus (HCV) Infection1
2Unknown StatusTreatmentHepatitis C Viral Infection1
1CompletedNot AvailableHealthy Volunteers2

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0281 mg/mLALOGPS
logP2.37ALOGPS
logP0.78ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)5.5ChemAxon
pKa (Strongest Basic)0.69ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area145.24 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity138.61 m3·mol-1ChemAxon
Polarizability54.98 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 21:16 / Updated on February 21, 2021 18:53