Vedroprevir
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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
- Vedroprevir
- DrugBank Accession Number
- DB12037
- Background
Vedroprevir has been investigated for the treatment of Hepatitis C, Chronic.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 910.53
Monoisotopic: 909.3861754 - Chemical Formula
- C45H60ClN7O9S
- Synonyms
- Vedroprevir
- External IDs
- GS-9451
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 Vedroprevir. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Vedroprevir. 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 Vedroprevir. 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 Vedroprevir. 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 Vedroprevir. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Oligopeptides
- Alternative Parents
- Valine and derivatives / N-acyl-L-alpha-amino acids / Proline and derivatives / Alpha amino acid amides / Chloroquinolines / N-acylpyrrolidines / Pyrrolidinecarboxamides / Secondary alkylarylamines / 2,4-disubstituted thiazoles / Alkyl aryl ethers show 23 more
- Substituents
- 1,3-thiazol-2-amine / 2,4-disubstituted 1,3-thiazole / Alkyl aryl ether / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid / Amino acid or derivatives / Aromatic heteropolycyclic compound show 49 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- KGD958X2B9
- CAS number
- 1098189-15-1
- InChI Key
- OTXAMWFYPMNDME-FQQWJMKMSA-N
- InChI
- InChI=1S/C45H60ClN7O9S/c1-7-27-21-45(27,41(56)57)51-39(54)33-19-29(22-53(33)40(55)38(44(4,5)6)50-43(58)62-28-17-25-16-26(25)18-28)61-35-20-31(32-23-63-42(49-32)47-24(2)3)48-37-30(35)8-9-34(36(37)46)60-15-12-52-10-13-59-14-11-52/h8-9,20,23-29,33,38H,7,10-19,21-22H2,1-6H3,(H,47,49)(H,50,58)(H,51,54)(H,56,57)/t25-,26+,27-,28+,29-,33+,38-,45-/m1/s1
- IUPAC Name
- (1R,2R)-1-[(2S,4R)-4-({8-chloro-7-[2-(morpholin-4-yl)ethoxy]-2-{2-[(propan-2-yl)amino]-1,3-thiazol-4-yl}quinolin-4-yl}oxy)-1-[(2S)-3,3-dimethyl-2-({[(1R,3r,5S)-bicyclo[3.1.0]hexan-3-yloxy]carbonyl}amino)butanoyl]pyrrolidine-2-amido]-2-ethylcyclopropane-1-carboxylic acid
- SMILES
- CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)OC1=C2C=CC(OCCN3CCOCC3)=C(Cl)C2=NC(=C1)C1=CSC(NC(C)C)=N1)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25167947
- PubChem Substance
- 347828349
- ChemSpider
- 28503767
- BindingDB
- 50379653
- ChEMBL
- CHEMBL2013174
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Genotype 1a or 1b HCV Infection 1 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 6 2 Completed Treatment Hepatitis C Virus Infection 1 2 Terminated Treatment Chronic 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 0.00189 mg/mL ALOGPS logP 5.34 ALOGPS logP 3.45 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 3.12 Chemaxon pKa (Strongest Basic) 5.74 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 193.78 Å2 Chemaxon Rotatable Bond Count 18 Chemaxon Refractivity 234.48 m3·mol-1 Chemaxon Polarizability 98.39 Å3 Chemaxon Number of Rings 8 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]- 285.56546 predictedDeepCCS 1.0 (2019) [M+H]+ 287.28915 predictedDeepCCS 1.0 (2019) [M+Na]+ 293.6181 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:14 / Updated at February 21, 2021 18:53