Beclabuvir
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Beclabuvir
- DrugBank Accession Number
- DB12225
- Background
Beclabuvir has been used in trials studying the treatment of Hepatitis C, Chronic.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 659.838
Monoisotopic: 659.314140265 - Chemical Formula
- C36H45N5O5S
- Synonyms
- Beclabuvir
- External IDs
- Bms 791325
Pharmacology
- Indication
Not Available
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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 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAdenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Beclabuvir. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Beclabuvir. Bacillus calmette-guerin substrain connaught live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Beclabuvir. Bacillus calmette-guerin substrain russian BCG-I live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with Beclabuvir. Bacillus calmette-guerin substrain tice live antigen The therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Beclabuvir. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Beclabuvir hydrochloride 3KU5345YJF 958002-36-3 IHXVACFNNPBRLK-OZSFMWOHSA-N
Categories
- ATC Codes
- J05AP58 — Daclatasvir, asunaprevir and beclabuvir
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Indoles and derivatives
- Sub Class
- Indolecarboxylic acids and derivatives
- Direct Parent
- Indolecarboxamides and derivatives
- Alternative Parents
- Benzazepines / 3-alkylindoles / Pyrroloazepines / Anisoles / N-acylpyrrolidines / Alkyl aryl ethers / Azepanes / N-methylpiperazines / Azepines / Substituted pyrroles show 10 more
- Substituents
- 1,4-diazinane / 3-alkylindole / Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aromatic heteropolycyclic compound / Azacycle / Azepane / Azepine show 29 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- MYW1X5CO9S
- CAS number
- 958002-33-0
- InChI Key
- ZTTKEBYSXUCBSE-QDFUAKMASA-N
- InChI
- InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1
- IUPAC Name
- (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-12-azapentacyclo[10.7.0.0^{2,7}.0^{8,10}.0^{13,18}]nonadeca-1(19),2,4,6,13,15,17-heptaene-15-carboxamide
- SMILES
- COC1=CC=C2C3=C(C4CCCCC4)C4=CC=C(C=C4N3C[C@]3(C[C@H]3C2=C1)C(=O)N1[C@H]2CC[C@@H]1CN(C)C2)C(=O)NS(=O)(=O)N(C)C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 56934415
- PubChem Substance
- 347828504
- ChemSpider
- 27289076
- ChEMBL
- CHEMBL4105584
- ZINC
- ZINC000150340281
- PDBe Ligand
- 2N7
- Wikipedia
- Beclabuvir
- PDB Entries
- 4nld
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Withdrawn Treatment Chronic Hepatitis C Virus (HCV) Infection 1 3 Completed Treatment Hepatitis C Virus (HCV) Infection 3 3 Completed Treatment Hepatitis C Virus Infection 1 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 1 2 Completed Treatment Hepatitis C Infection With HIV Co-Infection 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 0.00424 mg/mL ALOGPS logP 3.88 ALOGPS logP 2.64 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 4.17 Chemaxon pKa (Strongest Basic) 7.29 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 104.19 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 181.71 m3·mol-1 Chemaxon Polarizability 73.22 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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]- 231.12209 predictedDeepCCS 1.0 (2019) [M+H]+ 233.51765 predictedDeepCCS 1.0 (2019) [M+Na]+ 239.32452 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:40 / Updated at February 21, 2021 18:53