Sofinicline

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

Identification

Generic Name
Sofinicline
DrugBank Accession Number
DB12527
Background

Sofinicline has been used in trials studying the treatment of ADHD, Neuralgia, Diabetic, Diabetic Neuropathies, Diabetic Polyneuropathy, and Diabetic Neuropathic Pain, among others.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 244.12
Monoisotopic: 243.0330028
Chemical Formula
C10H11Cl2N3
Synonyms
  • Sofinicline
External IDs
  • A-422894.0
  • ABT-894

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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 polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Halopyridines
Direct Parent
Polyhalopyridines
Alternative Parents
Dialkylarylamines / Aminopyridines and derivatives / 2-halopyridines / 1,4-diazepanes / Aryl chlorides / Pyrrolidines / Heteroaromatic compounds / Azetidines / Dialkylamines / Azacyclic compounds
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Substituents
1,4-diazepane / 2-halopyridine / Amine / Aminopyridine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Azetidine / Dialkylarylamine
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
SQC232V4YY
CAS number
799279-80-4
InChI Key
MBQYQLWSBRANKQ-IMTBSYHQSA-N
InChI
InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1
IUPAC Name
(1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane
SMILES
ClC1=C(Cl)N=CC(=C1)N1C[C@@H]2CN[C@@H]2C1

References

General References
Not Available
PubChem Compound
10131048
PubChem Substance
347828755
ChemSpider
8306563
BindingDB
50224483
ChEMBL
CHEMBL238465
ZINC
ZINC000028866069

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAttention Deficit Hyperactivity Disorder (ADHD) / Attention Deficit/Hyperactivity Disorder / Attention-Deficit/Hyperactivity Disorder1
2CompletedTreatmentDiabetic Neuropathic Pain1
2CompletedTreatmentDiabetic Neuropathies / Diabetic Neuropathy, Painful / Diabetic Polyneuropathy / Neuralgia, Diabetic1

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 Solubility0.266 mg/mLALOGPS
logP1.93ALOGPS
logP1.7ChemAxon
logS-3ALOGPS
pKa (Strongest Basic)9.68ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area28.16 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity62.01 m3·mol-1ChemAxon
Polarizability23.97 Å3ChemAxon
Number of Rings3ChemAxon
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 on October 20, 2016 22:44 / Updated on February 21, 2021 18:53