NAV

Centanafadine

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

Identification

Generic Name
Centanafadine
DrugBank Accession Number
DB14841
Background

Centanafadine is under investigation in clinical trial NCT02827513 (A Phase 1 Study to Investigate the Safety, Tolerance, Food Effect, Pharmacokinetics and Pharmacodynamics of Single and Multiple Doses of Extended Release Formulations of Centanafadine (CTN) in Young Healthy Subjects).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 209.292
Monoisotopic: 209.120449487
Chemical Formula
C15H15N
Synonyms
  • Centanafadine
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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
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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Not Available
Direct Parent
Naphthalenes
Alternative Parents
Aralkylamines / Piperidines / Pyrrolidines / Dialkylamines / Azacyclic compounds / Hydrocarbon derivatives
Substituents
Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Hydrocarbon derivative / Naphthalene / Organic nitrogen compound / Organoheterocyclic compound / Organonitrogen compound / Piperidine
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
D2A6T4UH9C
CAS number
924012-43-1
InChI Key
HKHCSWPSUSWGLI-CABCVRRESA-N
InChI
InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1
IUPAC Name
(1R,5S)-1-(naphthalen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILES
C1[C@@H]2CNC[C@]12C1=CC=C2C=CC=CC2=C1

References

General References
Not Available
ChemSpider
17253639
ChEMBL
CHEMBL3301621
Wikipedia
Centanafadine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentAttention Deficit Hyperactivity Disorder (ADHD)1
3CompletedTreatmentADHD - Inattentive Type / Attention Deficit Hyperactivity Disorder (ADHD)3
3CompletedTreatmentAttention Deficit Hyperactivity Disorder (ADHD)1
3RecruitingTreatmentAttention Deficit Hyperactivity Disorder (ADHD)1
2CompletedTreatmentAttention Deficit Hyperactivity Disorder (ADHD)2

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 Solubility0.00442 mg/mLALOGPS
logP2.83ALOGPS
logP2.54Chemaxon
logS-4.7ALOGPS
pKa (Strongest Basic)10.54Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity65.72 m3·mol-1Chemaxon
Polarizability24.39 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-a3ad6fd79734ec605023
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-ff4ed8ba80a4460f923b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-19162b04a3255f97ec99
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0490000000-c21a96abde994c870fc8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0920000000-c29c498df47afdb39f9e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01po-0920000000-7591091a9d7d0708bfe9
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:29 / Updated at February 21, 2021 18:54