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

Identification

Generic Name
Dianicline
DrugBank Accession Number
DB12125
Background

Dianicline has been used in trials studying the treatment of Smoking, Smoking Cessation, and Tobacco Use Cessation.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 216.284
Monoisotopic: 216.126263143
Chemical Formula
C13H16N2O
Synonyms
  • Dianicline

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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 pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyranopyridines
Sub Class
Not Available
Direct Parent
Pyranopyridines
Alternative Parents
Azepanes / Aralkylamines / Alkyl aryl ethers / Pyridines and derivatives / Piperidines / N-alkylpyrrolidines / Heteroaromatic compounds / Trialkylamines / Oxacyclic compounds / Azacyclic compounds
show 1 more
Substituents
Alkyl aryl ether / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azepane / Ether / Heteroaromatic compound / Hydrocarbon derivative / N-alkylpyrrolidine
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Y0SNM34C6O
CAS number
292634-27-6
InChI Key
SUPRUPHAEXPGPF-QWHCGFSZSA-N
InChI
InChI=1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1
IUPAC Name
(1R,10S,13S)-9-oxa-4,13-diazatetracyclo[11.2.1.0^{1,10}.0^{3,8}]hexadeca-3(8),4,6-triene
SMILES
C1C[C@@]23C[N@@]1CC[C@@H]2OC1=C(C3)N=CC=C1

References

General References
Not Available
PubChem Compound
10176764
PubChem Substance
347828424
ChemSpider
8352269
BindingDB
50170601
ChEMBL
CHEMBL187927
ZINC
ZINC000003966685
Wikipedia
Dianicline

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentSmoking1
3CompletedTreatmentSmoking, Cessation / Tobacco Use Cessation1

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 Solubility38.6 mg/mLALOGPS
logP1.13ALOGPS
logP0.6Chemaxon
logS-0.75ALOGPS
pKa (Strongest Basic)9.29Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area25.36 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity61.06 m3·mol-1Chemaxon
Polarizability23.68 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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 21:24 / Updated at February 21, 2021 18:53