Radalbuvir
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Radalbuvir
- DrugBank Accession Number
- DB12065
- Background
Radalbuvir has been used in trials studying the treatment of Chronic Hepatitis C, Chronic HCV Infection, and Chronic Hepatitis C Infection.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 543.72
Monoisotopic: 543.265459218 - Chemical Formula
- C30H41NO6S
- Synonyms
- Radalbuvir
- External IDs
- Gs-9669
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.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 thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Thiophenes
- Sub Class
- Thiophene carboxylic acids and derivatives
- Direct Parent
- Thiophene carboxylic acids
- Alternative Parents
- 2,3,5-trisubstituted thiophenes / Cyclohexanols / Vinylogous amides / Tetrahydrofurans / Tertiary carboxylic acid amides / Tertiary alcohols / Heteroaromatic compounds / Cyclic alcohols and derivatives / Oxacyclic compounds / Carboxylic acids show 7 more
- Substituents
- 2,3,5-trisubstituted thiophene / Alcohol / Aromatic heteromonocyclic compound / Carbonyl group / Carboxamide group / Carboxylic acid / Carboxylic acid derivative / Cyclic alcohol / Cyclohexanol / Dialkyl ether show 16 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 273K4V0SPC
- CAS number
- 1314795-11-3
- InChI Key
- MUICUPWICXUNRS-GDCCIXDYSA-N
- InChI
- InChI=1S/C30H41NO6S/c1-20-5-7-21(8-6-20)27(32)31(25-17-24(11-13-29(2,3)4)38-26(25)28(33)34)22-9-14-30(35,15-10-22)19-37-23-12-16-36-18-23/h5,17,21-23,35H,6-10,12,14-16,18-19H2,1-4H3,(H,33,34)/t21-,22-,23-,30+/m0/s1
- IUPAC Name
- 5-(3,3-dimethylbut-1-yn-1-yl)-3-{N-[(1s,4s)-4-hydroxy-4-{[(3S)-oxolan-3-yloxy]methyl}cyclohexyl](1R)-4-methylcyclohex-3-ene-1-amido}thiophene-2-carboxylic acid
- SMILES
- CC1=CC[C@@H](CC1)C(=O)N([C@H]1CC[C@](O)(CO[C@H]2CCOC2)CC1)C1=C(SC(=C1)C#CC(C)(C)C)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 53259022
- PubChem Substance
- 347828374
- ChemSpider
- 31140180
- ChEMBL
- CHEMBL3121539
- ZINC
- ZINC000103267239
- Wikipedia
- Radalbuvir
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 4 1 Completed Treatment Hepatitis C Virus (HCV) 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 0.00556 mg/mL ALOGPS logP 3.86 ALOGPS logP 4.98 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 4.08 Chemaxon pKa (Strongest Basic) -1.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 96.3 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 146.09 m3·mol-1 Chemaxon Polarizability 60.99 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 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]- 213.23616 predictedDeepCCS 1.0 (2019) [M+H]+ 215.13158 predictedDeepCCS 1.0 (2019) [M+Na]+ 220.85631 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:17 / Updated at February 21, 2021 18:53