NAV

Ispronicline

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

Identification

Generic Name
Ispronicline
DrugBank Accession Number
DB16205
Background

Ispronicline is under investigation in clinical trial NCT00109564 (A Safety and Efficacy Study of Ispronicline (TC-1734-112) in Subjects With Age Associated Memory Impairment (AAMI)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 234.343
Monoisotopic: 234.173213336
Chemical Formula
C14H22N2O
Synonyms
  • Ispronicline
External IDs
  • AZD-3480
  • TC-01734
  • TC-1734
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Pharmacology

Indication

Not Available

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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3E05NBH9V5
CAS number
252870-53-4
InChI Key
RPCVIAXDAUMJJP-PZBABLGHSA-N
InChI
InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1
IUPAC Name
methyl[(2S,4E)-5-[5-(propan-2-yloxy)pyridin-3-yl]pent-4-en-2-yl]amine
SMILES
CN[C@@H](C)C\C=C\C1=CC(OC(C)C)=CN=C1

References

General References
Not Available
ChemSpider
7999892
BindingDB
50170602
ChEMBL
CHEMBL188462
ZINC
ZINC000003961864
Wikipedia
Ispronicline

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlzheimer's Disease (AD)2
2CompletedTreatmentAttention Deficit Hyperactivity Disorder (ADHD)1
2CompletedTreatmentMemory Disorders, Age Related1
2CompletedTreatmentSchizophrenia1
1CompletedBasic ScienceAlzheimer's Disease (AD)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 Solubility0.192 mg/mLALOGPS
logP2.55ALOGPS
logP2.24Chemaxon
logS-3.1ALOGPS
pKa (Strongest Basic)10.55Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area34.15 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity72.27 m3·mol-1Chemaxon
Polarizability28.03 Å3Chemaxon
Number of Rings1Chemaxon
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/MSsplash10-01pc-0940000000-bb0ac66d4bff4945f5f2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0390000000-362a4428ce756e7b5d65
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0hh3-1920000000-58c16c6747ee1ba68745
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01po-0940000000-b85ec7f5d089c7dd75ec
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-067i-1900000000-862b0bb0a13ea0fa86b8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0buc-4900000000-3803f053ec34d32cefe4
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:15 / Updated at February 21, 2021 18:55