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

Identification

Generic Name
Coblopasvir
DrugBank Accession Number
DB15315
Background

Coblopasvir is under investigation in clinical trial NCT03416491 (Safety and Efficacy of KW-136 and Sofosbuvir for Treatment of Chronic Hepatitis C).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 782.899
Monoisotopic: 782.375160602
Chemical Formula
C41H50N8O8
Synonyms
  • Coblopasvir

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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
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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

ATC Codes
J05AP12 — Coblopasvir
Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
67XWL3R65W
CAS number
1312608-46-0
InChI Key
JBYJTCVXUMWTJJ-YRCZKMHPSA-N
InChI
InChI=1S/C41H50N8O8/c1-22(2)32(46-40(52)54-5)38(50)48-17-7-9-30(48)36-42-19-28(44-36)25-13-11-24(12-14-25)26-15-16-27(35-34(26)56-21-57-35)29-20-43-37(45-29)31-10-8-18-49(31)39(51)33(23(3)4)47-41(53)55-6/h11-16,19-20,22-23,30-33H,7-10,17-18,21H2,1-6H3,(H,42,44)(H,43,45)(H,46,52)(H,47,53)/t30-,31-,32-,33-/m0/s1
IUPAC Name
methyl N-[(2S)-1-[(2S)-2-{5-[4-(7-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-2H-1,3-benzodioxol-4-yl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILES
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C(C=C1)C1=CC=C(C2=CN=C(N2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C2=C1OCO2

References

General References
Not Available
ChemSpider
75531292

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection1
2CompletedTreatmentChronic 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 Solubility0.0159 mg/mLALOGPS
logP4.29ALOGPS
logP3.8ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)10.88ChemAxon
pKa (Strongest Basic)5.96ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area193.1 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity207.59 m3·mol-1ChemAxon
Polarizability85.98 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
Not Available

Drug created at May 20, 2019 15:12 / Updated at February 21, 2021 18:55