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

Identification

Generic Name
Odalasvir
DrugBank Accession Number
DB13041
Background

Odalasvir has been used in trials studying the treatment of Hepatitis C, Chronic and Chronic Hepatitis C Infection.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 1001.286
Monoisotopic: 1000.55748207
Chemical Formula
C60H72N8O6
Synonyms
  • Odalasvir
External IDs
  • ACH-0143102
  • ACH-3102

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Adverseeffects
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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.
DrugInteraction
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Odalasvir.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Odalasvir.
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 Odalasvir.
Bacillus calmette-guerin substrain russian BCG-I live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with Odalasvir.
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 Odalasvir.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Odalasvir.
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 Odalasvir.
Rubella virus vaccineThe therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with Odalasvir.
Typhoid Vaccine LiveThe therapeutic efficacy of Typhoid Vaccine Live can be decreased when used in combination with Odalasvir.
Varicella zoster vaccine (live/attenuated)The therapeutic efficacy of Varicella zoster vaccine (live/attenuated) can be decreased when used in combination with Odalasvir.
Interactions
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Valine and derivatives
Alternative Parents
Alpha amino acid amides / Indoles and derivatives / Benzimidazoles / N-acylpyrrolidines / Benzenoids / Tertiary carboxylic acid amides / Methylcarbamates / Imidazoles / Heteroaromatic compounds / Azacyclic compounds
show 4 more
Substituents
Alpha-amino acid amide / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzimidazole / Carbamic acid ester / Carbonyl group / Carboxamide group / Heteroaromatic compound
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
OVR52K7BDW
CAS number
1415119-52-6
InChI Key
LSYBRGMTRKJATA-IVEWBXRVSA-N
InChI
InChI=1S/C60H72N8O6/c1-33(2)53(65-59(71)73-5)57(69)67-49-13-9-7-11-41(49)31-51(67)55-61-45-25-23-39(29-47(45)63-55)43-27-35-15-19-37(43)21-17-36-16-20-38(22-18-35)44(28-36)40-24-26-46-48(30-40)64-56(62-46)52-32-42-12-8-10-14-50(42)68(52)58(70)54(34(3)4)66-60(72)74-6/h15-16,19-20,23-30,33-34,41-42,49-54H,7-14,17-18,21-22,31-32H2,1-6H3,(H,61,63)(H,62,64)(H,65,71)(H,66,72)/t41-,42-,49-,50-,51-,52-,53-,54-/m0/s1
IUPAC Name
methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-(14-{2-[(2S,3aS,7aS)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-octahydro-1H-indol-2-yl]-1H-1,3-benzodiazol-6-yl}tricyclo[8.2.2.2^{4,7}]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl)-1H-1,3-benzodiazol-2-yl]-octahydro-1H-indol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILES
COC(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C1=NC2=CC=C(C=C2N1)C1=CC2=CC=C1CCC1=CC=C(CC2)C(=C1)C1=CC=C2N=C(NC2=C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)OC)C(C)C

References

General References
Not Available
PubChem Compound
71474517
PubChem Substance
347829173
ChemSpider
34500837
ChEMBL
CHEMBL3544977
Wikipedia
Odalasvir

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection4
1CompletedOtherHealthy Subjects (HS)3
1CompletedOtherImpaired Renal Function1
1CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection2
1CompletedTreatmentHealthy Subjects (HS)2
1TerminatedTreatmentHealthy Subjects (HS)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
PropertyValueSource
Water Solubility0.000969 mg/mLALOGPS
logP7.68ALOGPS
logP11.17ChemAxon
logS-6ALOGPS
pKa (Strongest Acidic)10.94ChemAxon
pKa (Strongest Basic)5.25ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area174.64 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity283.88 m3·mol-1ChemAxon
Polarizability112.35 Å3ChemAxon
Number of Rings11ChemAxon
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

Drug created at October 21, 2016 02:20 / Updated at February 21, 2021 18:54