NB-001

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

Identification

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Name
NB-001
Accession Number
DB12716  (DB05008)
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
HTS-09836 / NB-001 / NB001
Categories
UNII
J89QT81NBQ
CAS number
686301-48-4
Weight
Average: 264.333
Monoisotopic: 264.169859288
Chemical Formula
C12H20N6O
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

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. [PubMed:12485363]
External Links
PubChem Compound
2815031
PubChem Substance
347828914
ChemSpider
2093404

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHerpes Labialis1
3CompletedTreatmentRecurrent Herpes Labialis1
3Unknown StatusTreatmentHerpes Labialis1

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

Taxonomy

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 / Aminopyrimidine / Imidolactam / Pyrimidine / N-substituted imidazole / Azole / Heteroaromatic compound / Imidazole / Alkanolamine / Azacycle
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:46 / Updated on June 04, 2019 07:42