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
Structure for Coblopasvir (DB15315)
- Weight
- Average: 782.899
Monoisotopic: 782.375160602 - Chemical Formula
- C41H50N8O8
- Synonyms
- Coblopasvir
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- 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
- External Links
- ChemSpider
- 75531292
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 1 2 Completed 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 0.0159 mg/mL ALOGPS logP 4.29 ALOGPS logP 3.8 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 10.88 Chemaxon pKa (Strongest Basic) 5.96 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 193.1 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 207.59 m3·mol-1 Chemaxon Polarizability 85.98 Å3 Chemaxon Number of Rings 7 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
- Not Available
Drug created at May 20, 2019 15:12 / Updated at February 21, 2021 18:55