Intepirdine
Star1
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Intepirdine
- DrugBank Accession Number
- DB12680
- Background
Intepirdine has been used in trials studying the treatment of Alzheimer's Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 353.44
Monoisotopic: 353.119798038 - Chemical Formula
- C19H19N3O2S
- Synonyms
- Intepirdine
- External IDs
- RVT-101
- SB-742457
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazinanes
- Sub Class
- Piperazines
- Direct Parent
- N-arylpiperazines
- Alternative Parents
- Aminoquinolines and derivatives / Benzenesulfonyl compounds / Dialkylarylamines / Pyridines and derivatives / Sulfones / Heteroaromatic compounds / Dialkylamines / Azacyclic compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Amine / Aminoquinoline / Aromatic heteropolycyclic compound / Azacycle / Benzenesulfonyl group / Benzenoid / Dialkylarylamine / Heteroaromatic compound / Hydrocarbon derivative / Monocyclic benzene moiety
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2IOB2M82HY
- CAS number
- 607742-69-8
- InChI Key
- JJZFWROHYSMCMU-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
- IUPAC Name
- 3-(benzenesulfonyl)-8-(piperazin-1-yl)quinoline
- SMILES
- O=S(=O)(C1=CC=CC=C1)C1=CN=C2C(C=CC=C2N2CCNCC2)=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11256720
- PubChem Substance
- 347828884
- ChemSpider
- 9431746
- BindingDB
- 50318633
- ChEMBL
- CHEMBL1083390
- ZINC
- ZINC000043199965
- Wikipedia
- Intepirdine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Alzheimer's Disease (AD) 1 3 Terminated Treatment Alzheimer's Disease (AD) 1 2 Completed Treatment Alzheimer's Disease (AD) 4 2 Completed Treatment Alzheimer's Disease (AD) / Dementia With Lewy Body Disease / Parkinsons Disease With Dementia (PDD) 1 2 Completed Treatment Dementia With Lewy Body Disease 1
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 0.057 mg/mL ALOGPS logP 2.04 ALOGPS logP 2.66 Chemaxon logS -3.8 ALOGPS pKa (Strongest Basic) 8.61 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 62.3 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 98.7 m3·mol-1 Chemaxon Polarizability 37.33 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No 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 splash10-0udi-0009000000-98553d130f33d688bfb6 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udl-0709000000-23a6a299572e9946c41f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0009000000-0cd6b9b0f3da08bd59bf Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0229000000-159b7541e5f8aaedbe3a Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a6r-1947000000-d69e688e9b9e85f7a7fd Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-01vo-2975000000-bec0f3e63f10e10c6e64 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 174.02068 predictedDeepCCS 1.0 (2019) [M+H]+ 176.37874 predictedDeepCCS 1.0 (2019) [M+Na]+ 183.01604 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:35 / Updated at February 21, 2021 18:53