NAV

Furaprevir

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

Identification

Generic Name
Furaprevir
DrugBank Accession Number
DB12785
Background

Furaprevir is under investigation in clinical trial NCT01523990 (A Study to Evaluate the Safety, Tolerability, and PK in Healthy Volunteers and HCV Genotype 1 Infected Patients).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 897.06
Monoisotopic: 896.377863201
Chemical Formula
C47H56N6O10S
Synonyms
  • Furaprevir
External IDs
  • Tg 2349
  • TG-2349

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Cyclic peptides
Alternative Parents
Macrolactams / Alpha amino acid amides / Benzofurans / Phenol ethers / Phenoxy compounds / Alkyl aryl ethers / Pyrimidines and pyrimidine derivatives / Cyclopropanecarboxylic acids and derivatives / Organosulfonic acids and derivatives / Tertiary carboxylic acid amides
show 14 more
Substituents
Alkyl aryl ether / Alpha-amino acid amide / Alpha-amino acid or derivatives / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzofuran / Carbamic acid ester / Carbonyl group
show 28 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0UMM44REU9
CAS number
1435923-88-8
InChI Key
GZRNOYTVBWWFLJ-NTPALUMKSA-N
InChI
InChI=1S/C47H56N6O10S/c1-28(2)60-32-21-19-29(20-22-32)40-49-38-34-16-11-12-18-37(34)63-39(38)42(50-40)61-33-25-36-41(54)51-47(44(56)52-64(58,59)46(3)23-24-46)26-30(47)13-7-5-4-6-8-17-35(43(55)53(36)27-33)48-45(57)62-31-14-9-10-15-31/h7,11-13,16,18-22,28,30-31,33,35-36H,4-6,8-10,14-15,17,23-27H2,1-3H3,(H,48,57)(H,51,54)(H,52,56)/b13-7-/t30-,33-,35+,36+,47-/m1/s1
IUPAC Name
cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-2,15-dioxo-18-({4-[4-(propan-2-yloxy)phenyl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}oxy)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
SMILES
CC(C)OC1=CC=C(C=C1)C1=NC2=C(OC3=C2C=CC=C3)C(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@H](CCCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)OC2CCCC2)=N1

References

General References
Not Available
PubChem Compound
51037069
PubChem Substance
347828966
ChemSpider
34500835

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentChronic Hepatics C Virus (HCV) Genotype 1 / Cirrhosis of the Liver / Non-Cirrhotic / Treatment Naive1
2CompletedTreatmentChronic Hepatics C Virus (HCV) Genotype 1 / Cirrhosis of the Liver / Non-Cirrhotic / Treatment Naive1
2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection1
1CompletedNot AvailableHealthy Subjects (HS)1
1CompletedBasic ScienceHealthy Chinese Volunteers1
1CompletedOtherHealthy Chinese Volunteers1
1CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection / Healthy Subjects (HS)1

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 Solubility0.0122 mg/mLALOGPS
logP4.86ALOGPS
logP6.5Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)3.74Chemaxon
pKa (Strongest Basic)-0.38Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area208.36 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity245.34 m3·mol-1Chemaxon
Polarizability95.56 Å3Chemaxon
Number of Rings9Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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 at October 21, 2016 00:13 / Updated at February 21, 2021 18:53