Odalasvir
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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
- Weight
- Average: 1001.286
Monoisotopic: 1000.55748207 - Chemical Formula
- C60H72N8O6
- Synonyms
- Odalasvir
- External IDs
- ACH-0143102
- ACH-3102
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!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.
Drug Interaction Integrate drug-drug
interactions in your softwareAdenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Odalasvir. Anthrax vaccine The therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Odalasvir. Bacillus calmette-guerin substrain connaught live antigen The 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 antigen The 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 antigen The therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Odalasvir. - 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
- External Links
- PubChem Compound
- 71474517
- PubChem Substance
- 347829173
- ChemSpider
- 34500837
- ChEMBL
- CHEMBL3544977
- Wikipedia
- Odalasvir
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 4 1 Completed Other Healthy Volunteers (HV) 3 1 Completed Other Impaired Renal Function 1 1 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 2 1 Completed Treatment Healthy Volunteers (HV) 2
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 0.000969 mg/mL ALOGPS logP 7.68 ALOGPS logP 11.17 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 10.94 Chemaxon pKa (Strongest Basic) 5.25 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 174.64 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 283.88 m3·mol-1 Chemaxon Polarizability 112.35 Å3 Chemaxon Number of Rings 11 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 310.2764 predictedDeepCCS 1.0 (2019) [M+H]+ 312.00012 predictedDeepCCS 1.0 (2019) [M+Na]+ 318.19138 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 02:20 / Updated at February 21, 2021 18:54