Vedroprevir

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Vedroprevir
Accession Number
DB12037
Type
Small Molecule
Groups
Investigational
Description

Vedroprevir has been investigated for the treatment of Hepatitis C, Chronic.

Structure
Thumb
Synonyms
Not Available
External IDs
GS-9451
Categories
UNII
KGD958X2B9
CAS number
1098189-15-1
Weight
Average: 910.53
Monoisotopic: 909.3861754
Chemical Formula
C45H60ClN7O9S
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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.
DrugInteraction
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Vedroprevir.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Vedroprevir.
Bacillus calmette-guerin substrain connaught live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Vedroprevir.
Bacillus calmette-guerin substrain danish 1331 live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain danish 1331 live antigen can be decreased when used in combination with Vedroprevir.
Bacillus calmette-guerin substrain tice live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Vedroprevir.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Vedroprevir.
Human adenovirus e serotype 4 strain cl-68578 antigenThe therapeutic efficacy of Human adenovirus e serotype 4 strain cl-68578 antigen can be decreased when used in combination with Vedroprevir.
Rubella virus vaccineThe therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with Vedroprevir.
Typhoid Vaccine LiveThe therapeutic efficacy of Typhoid Vaccine Live can be decreased when used in combination with Vedroprevir.
Varicella Zoster Vaccine (Live/attenuated)The therapeutic efficacy of Varicella Zoster Vaccine (Live/attenuated) can be decreased when used in combination with Vedroprevir.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
25167947
PubChem Substance
347828349
ChemSpider
28503767
BindingDB
50379653
ChEMBL
CHEMBL2013174

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Genotype 1a or 1b HCV Infection1
2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection6
2CompletedTreatmentHepatitis C Virus Infection1
2TerminatedTreatmentChronic Hepatitis C Virus (HCV) Infection1

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
PropertyValueSource
Water Solubility0.00189 mg/mLALOGPS
logP5.34ALOGPS
logP3.45ChemAxon
logS-5.7ALOGPS
pKa (Strongest Acidic)3.12ChemAxon
pKa (Strongest Basic)5.74ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area193.78 Å2ChemAxon
Rotatable Bond Count18ChemAxon
Refractivity234.48 m3·mol-1ChemAxon
Polarizability98.39 Å3ChemAxon
Number of Rings8ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Alpha-oligopeptide / N-acyl-l-alpha-amino acid / N-acyl-alpha amino acid or derivatives / N-acyl-alpha-amino acid / Proline or derivatives / Valine or derivatives / Alpha-amino acid amide / Chloroquinoline / Haloquinoline / Quinoline
show 49 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:14 / Updated on February 06, 2020 13:17