NAV

Sovaprevir

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

Identification

Generic Name
Sovaprevir
DrugBank Accession Number
DB12069
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 799.98
Monoisotopic: 799.361484861
Chemical Formula
C43H53N5O8S
Synonyms
  • Sovaprevir
External IDs
  • ACH-0141625
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Dipeptides
Alternative Parents
Phenylquinolines / N-acyl-alpha amino acids and derivatives / Proline and derivatives / Alpha amino acid amides / Phenylpyridines / N-acylpiperidines / N-acylpyrrolidines / Anisoles / Pyrrolidinecarboxamides / Alkyl aryl ethers
show 12 more
Substituents
2-phenylpyridine / Alkyl aryl ether / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-dipeptide / Aminosulfonyl compound / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid
show 31 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2ND9V3MN6O
CAS number
1001667-23-7
InChI Key
MHFMTUBUVQZIRE-WINRQGAFSA-N
InChI
InChI=1S/C43H53N5O8S/c1-6-28-25-43(28,41(52)46-57(53,54)31-16-17-31)45-39(50)36-22-30(26-48(36)40(51)33(42(2,3)4)23-38(49)47-19-11-8-12-20-47)56-37-24-34(27-13-9-7-10-14-27)44-35-21-29(55-5)15-18-32(35)37/h6-7,9-10,13-15,18,21,24,28,30-31,33,36H,1,8,11-12,16-17,19-20,22-23,25-26H2,2-5H3,(H,45,50)(H,46,52)/t28-,30-,33-,36+,43-/m1/s1
IUPAC Name
(2S,4R)-1-[(2S)-2-tert-butyl-4-oxo-4-(piperidin-1-yl)butanoyl]-N-[(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]pyrrolidine-2-carboxamide
SMILES
COC1=CC2=NC(=CC(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](CC(=O)N3CCCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C3CC3)=C2C=C1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
53362096
PubChem Substance
347828378
ChemSpider
28529313
ChEMBL
CHEMBL2105750
Wikipedia
Sovaprevir

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection1
2CompletedTreatmentHepatitis 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 Solubility0.003 mg/mLALOGPS
logP4.39ALOGPS
logP2.71Chemaxon
logS-5.4ALOGPS
pKa (Strongest Acidic)3.76Chemaxon
pKa (Strongest Basic)5.6Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area164.31 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity212.83 m3·mol-1Chemaxon
Polarizability85.59 Å3Chemaxon
Number of Rings7Chemaxon
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/MSsplash10-0udi-1130349250-f1919c110ee754b18a76
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-06di-1261049700-06583792a9d6bf91f315
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udr-4400179010-69145daa5b8a29cdb3ff
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-054p-6950045500-ce83088e08e773851189
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-4110590020-c116c8327324aea344d1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-069s-4600149600-b3f431b6e3e218831ebf
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-293.0511278
predicted
DarkChem Lite v0.1.0
[M-H]-272.4441
predicted
DeepCCS 1.0 (2019)
[M+H]+294.0690278
predicted
DarkChem Lite v0.1.0
[M+H]+274.32095
predicted
DeepCCS 1.0 (2019)
[M+Na]+292.2961278
predicted
DarkChem Lite v0.1.0
[M+Na]+280.49677
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:17 / Updated at February 21, 2021 18:53