NAV

Ingavirin

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

Identification

Generic Name
Ingavirin
DrugBank Accession Number
DB11944
Background

Ingavirin has been used in trials studying the treatment of Influenza and Common Cold.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 225.248
Monoisotopic: 225.111341355
Chemical Formula
C10H15N3O3
Synonyms
  • IMIDAZOLYL ETHANAMIDE PENTANDIOIC ACID
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Pharmacology

Indication

Not Available

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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
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interactions in your software
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Ingavirin.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Ingavirin.
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 Ingavirin.
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 Ingavirin.
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 Ingavirin.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Imidazoles
Direct Parent
Imidazolyl carboxylic acids and derivatives
Alternative Parents
N-acyl amines / Heteroaromatic compounds / Secondary carboxylic acid amides / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aromatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid / Carboxylic acid derivative / Fatty acyl / Fatty amide / Heteroaromatic compound / Hydrocarbon derivative
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3CM03MUJ69
CAS number
219694-63-0
InChI Key
KZIMLUFVKJLCCH-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N3O3/c14-9(2-1-3-10(15)16)12-5-4-8-6-11-7-13-8/h6-7H,1-5H2,(H,11,13)(H,12,14)(H,15,16)
IUPAC Name
4-{[2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
SMILES
OC(=O)CCCC(=O)NCCC1=CNC=N1

References

General References
Not Available
PubChem Compound
9942657
PubChem Substance
347828271
ChemSpider
8118269
ZINC
ZINC000040493529

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4CompletedTreatmentAcute Respiratory Infections (ARIs) / Common Cold / Influenza, Human1
3CompletedPreventionAcute Respiratory Infections (ARIs) / Common Cold / Flu caused by Influenza / Influenza, Human / Viral Infections1
3CompletedTreatmentAcute Respiratory Infections (ARIs) / Common Cold / Influenza, Human1
3CompletedTreatmentAcute Respiratory Infections (ARIs) / Common Cold / Influenza, Human / Viral Infections2
3CompletedTreatmentCommon Cold / Flu caused by Influenza1

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 Solubility1.87 mg/mLALOGPS
logP-0.11ALOGPS
logP-1.8Chemaxon
logS-2.1ALOGPS
pKa (Strongest Acidic)4.15Chemaxon
pKa (Strongest Basic)6.55Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area95.08 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity56.6 m3·mol-1Chemaxon
Polarizability23.14 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00lv-9710000000-14e28fa784ea97ef1fd9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bta-3960000000-8cba5893b3b0e7ed605a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gvk-7920000000-07f5350345ce35d90ea8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9200000000-3f6783d47a1905d366f1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-2950000000-d4812557dc31744bdc87
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0bt9-9500000000-34c0bdfebf894c7abf91
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9200000000-6607554112028d898abe
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-155.730163
predicted
DarkChem Lite v0.1.0
[M-H]-143.10252
predicted
DeepCCS 1.0 (2019)
[M+H]+155.997163
predicted
DarkChem Lite v0.1.0
[M+H]+145.54314
predicted
DeepCCS 1.0 (2019)
[M+Na]+155.463563
predicted
DarkChem Lite v0.1.0
[M+Na]+154.03665
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:03 / Updated at June 12, 2020 16:53