NB-001
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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
- 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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- 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
- 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.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
- 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]
- External Links
- PubChem Compound
- 2815031
- PubChem Substance
- 347828914
- ChemSpider
- 2093404
- ZINC
- ZINC000004334664
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Recurrent Herpes Labialis 1 3 Completed Treatment Recurrent Herpes Simplex Labialis 1 3 Unknown Status Treatment Herpes Labialis 1 2 Completed Treatment 22q11.2 Deletion Syndrome / Coronavirus Disease 2019 (COVID‑19) 1 2 Completed Treatment Herpes Labialis 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
Property Value Source Water Solubility 1.13 mg/mL ALOGPS logP -0.21 ALOGPS logP -0.34 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 16.84 Chemaxon pKa (Strongest Basic) 10.26 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 101.88 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 74.62 m3·mol-1 Chemaxon Polarizability 29.44 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-02aj-5940000000-bafff6654d11c579355c Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0090000000-ed99a980500e65bcb433 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0090000000-2978b9b30bc247527d66 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000b-2890000000-caa61a5f6ac77ad6cd00 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0089-2790000000-186ab01b61f6e3f17c3d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-1910000000-3ad45a41c5af4b2289a8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0aou-1900000000-4ba10324ca988d189bdf Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 166.1131914 predictedDarkChem Lite v0.1.0 [M-H]- 155.47118 predictedDeepCCS 1.0 (2019) [M+H]+ 166.6090914 predictedDarkChem Lite v0.1.0 [M+H]+ 157.82918 predictedDeepCCS 1.0 (2019) [M+Na]+ 166.3938914 predictedDarkChem Lite v0.1.0 [M+Na]+ 165.82953 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:46 / Updated at June 12, 2020 16:53