This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Filibuvir
- DrugBank Accession Number
- DB11878
- Background
Filibuvir has been used in trials studying the treatment of Hepatitis, Hepatitis C, and Chronic Hepatitis C.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Filibuvir (DB11878)
- Weight
- Average: 503.6358
Monoisotopic: 503.289640075 - Chemical Formula
- C29H37N5O3
- Synonyms
- Filibuvir
- External IDs
- PF-00868554
- PF-868554
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Triazolopyrimidines
- Sub Class
- Not Available
- Direct Parent
- Triazolopyrimidines
- Alternative Parents
- Dihydropyranones / Pyrimidines and pyrimidine derivatives / Pyridines and derivatives / Vinylogous acids / Triazoles / Enoate esters / Heteroaromatic compounds / Lactones / Azacyclic compounds / Oxacyclic compounds show 6 more
- Substituents
- 1,2,4-triazole / Alpha,beta-unsaturated carboxylic ester / Aromatic heteropolycyclic compound / Azacycle / Azole / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Dihydropyranone / Enoate ester show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 198J479Y2L
- CAS number
- 877130-28-4
- InChI Key
- SLVAPEZTBDBAPI-GDLZYMKVSA-N
- InChI
- InChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1
- IUPAC Name
- (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-4-hydroxy-5,6-dihydro-2H-pyran-2-one
- SMILES
- CCC1=CC(CC[C@@]2(CC(O)=C(CC3=NN4C(=N3)N=C(C)C=C4C)C(=O)O2)C2CCCC2)=CC(CC)=N1
References
- General References
- Not Available
- External Links
- PDB Entries
- 3frz
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Hepatitis C Virus (HCV) Infection 1 2 Completed Treatment Hepatitis / Hepatitis C Virus (HCV) Infection 1 1 Completed Not Available Hepatitis C Virus (HCV) Infection 1 1 Completed Basic Science Hepatitis C Virus (HCV) Infection 2 1 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 1 1 Completed Treatment Hepatitis C Virus (HCV) Infection 2 1 Completed Treatment Hepatitis C Virus (HCV) Infection / Hepatitis, Chronic 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 0.0104 mg/mL ALOGPS logP 5.13 ALOGPS logP 5.26 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 8.23 Chemaxon pKa (Strongest Basic) 6.13 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 102.5 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 154.91 m3·mol-1 Chemaxon Polarizability 56.99 Å3 Chemaxon Number of Rings 5 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 20:56 / Updated at February 21, 2021 18:53