Ispronicline
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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
- 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
- Weight
- Average: 234.343
Monoisotopic: 234.173213336 - Chemical Formula
- C14H22N2O
- Synonyms
- Ispronicline
- External IDs
- AZD-3480
- TC-01734
- TC-1734
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
- 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
- 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
- External Links
- ChemSpider
- 7999892
- BindingDB
- 50170602
- ChEMBL
- CHEMBL188462
- ZINC
- ZINC000003961864
- Wikipedia
- Ispronicline
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Alzheimer's Disease (AD) 2 2 Completed Treatment Attention Deficit Hyperactivity Disorder (ADHD) 1 2 Completed Treatment Memory Disorders, Age Related 1 2 Completed Treatment Schizophrenia 1 1 Completed Basic Science Alzheimer'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
Property Value Source Water Solubility 0.192 mg/mL ALOGPS logP 2.55 ALOGPS logP 2.24 Chemaxon logS -3.1 ALOGPS pKa (Strongest Basic) 10.55 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 34.15 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 72.27 m3·mol-1 Chemaxon Polarizability 28.03 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-01pc-0940000000-bb0ac66d4bff4945f5f2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0390000000-362a4428ce756e7b5d65 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0hh3-1920000000-58c16c6747ee1ba68745 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01po-0940000000-b85ec7f5d089c7dd75ec Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-067i-1900000000-862b0bb0a13ea0fa86b8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0buc-4900000000-3803f053ec34d32cefe4 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:15 / Updated at February 21, 2021 18:55