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

Identification

Generic Name
NB-001
DrugBank Accession Number
DB12716
Background

NB-001 has been investigated for the treatment of Recurrent Herpes Labialis.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 264.333
Monoisotopic: 264.169859288
Chemical Formula
C12H20N6O
Synonyms
Not Available
External IDs
  • HTS-09836
  • NB-001
  • NB001

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

NB-001 is developed by NanoBio with an additional pharmaceutical treatments utilizing the NanoStat antimicrobial technology for fungal, viral and bacterial infections of the skin and mucous membranes. In addition to Herpes labialis, clinical trials has begun with NanoTxt, which is a topical treatment for nail fungus (onychomycosis). NanoBio's product has the potential to be the first topical treatment for nail fungus with efficacy similar to systemic medications.

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

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Imidazopyrimidines
Sub Class
Purines and purine derivatives
Direct Parent
6-aminopurines
Alternative Parents
Aminopyrimidines and derivatives / N-substituted imidazoles / Imidolactams / Heteroaromatic compounds / Dialkylamines / Azacyclic compounds / Alkanolamines / Primary amines / Primary alcohols / Organopnictogen compounds
show 1 more
Substituents
6-aminopurine / Alcohol / Alkanolamine / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
J89QT81NBQ
CAS number
686301-48-4
InChI Key
CVPTTZZCRDVGSU-UHFFFAOYSA-N
InChI
InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16)
IUPAC Name
5-{[2-(6-amino-9H-purin-9-yl)ethyl]amino}pentan-1-ol
SMILES
NC1=C2N=CN(CCNCCCCCO)C2=NC=N1

References

General References
  1. Tanigawa M, Sawada T: Effects of subminimal inhibitory concentrations of amoxicillin against Actinobacillus pleuropneumoniae. J Vet Med B Infect Dis Vet Public Health. 2002 Dec;49(10):513-8. [Article]
PubChem Compound
2815031
PubChem Substance
347828914
ChemSpider
2093404
ZINC
ZINC000004334664

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentRecurrent Herpes Labialis1
3CompletedTreatmentRecurrent Herpes Simplex Labialis1
3Unknown StatusTreatmentHerpes Labialis1
2CompletedTreatmentHerpes Labialis1
2RecruitingTreatment22q11 Deletion Syndrome / Coronavirus Disease 2019 (COVID‑19)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 Solubility1.13 mg/mLALOGPS
logP-0.21ALOGPS
logP-0.34ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)16.84ChemAxon
pKa (Strongest Basic)10.26ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area101.88 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity74.62 m3·mol-1ChemAxon
Polarizability29.44 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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-MSNot Available
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 20, 2016 23:46 / Updated at June 12, 2020 16:53