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
Structure for Furaprevir (DB12785)
- 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 ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Chronic Hepatics C Virus (HCV) Genotype 1 / Cirrhosis of the Liver / Non-Cirrhotic / Treatment Naive 1 2 Completed Treatment Chronic Hepatics C Virus (HCV) Genotype 1 / Cirrhosis of the Liver / Non-Cirrhotic / Treatment Naive 1 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 1 1 Completed Not Available Healthy Volunteers (HV) 1 1 Completed Basic Science Healthy Chinese Volunteers 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
Property Value Source Water Solubility 0.0122 mg/mL ALOGPS logP 4.86 ALOGPS logP 6.5 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 3.74 Chemaxon pKa (Strongest Basic) -0.38 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 208.36 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 245.34 m3·mol-1 Chemaxon Polarizability 95.56 Å3 Chemaxon Number of Rings 9 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 289.53256 predictedDeepCCS 1.0 (2019) [M+H]+ 291.25632 predictedDeepCCS 1.0 (2019) [M+Na]+ 297.58524 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:13 / Updated at February 21, 2021 18:53