Pipequaline
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Pipequaline
- DrugBank Accession Number
- DB13991
- Background
Pipequaline is an anticonflict & anticonvulsant quinoline derivative. It is an anxiolytic drug that was never marketed. It presents a unique chemical structure that does not follow the structural properties of other drugs of its class. Pipequaline has a similar pharmacological profile to the reported for the benzodiazepines. However, it presents a significant set of anxiolytic properties with a very little sedative, amnestic or anticonvulsant effect. Due to these differences, this drug is classified as a nonbenzodiazepine anxiolytic.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 316.448
Monoisotopic: 316.193948781 - Chemical Formula
- C22H24N2
- Synonyms
- 2-Phenyl-4-(2-(4-piperidyl)ethyl)quinoline
- Pipequalina
- Pipequaline
- Pipequalinum
- External IDs
- PK-8165
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- J3S205V4I2
- CAS number
- 77472-98-1
- InChI Key
- AMEWZCMTSIONOX-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H24N2/c1-2-6-18(7-3-1)22-16-19(11-10-17-12-14-23-15-13-17)20-8-4-5-9-21(20)24-22/h1-9,16-17,23H,10-15H2
- IUPAC Name
- 2-phenyl-4-[2-(piperidin-4-yl)ethyl]quinoline
- SMILES
- C(CC1=C2C=CC=CC2=NC(=C1)C1=CC=CC=C1)C1CCNCC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 64354
- ChEMBL
- CHEMBL2105206
- ZINC
- ZINC000001482144
- Wikipedia
- Pipequaline
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000135 mg/mL ALOGPS logP 4.85 ALOGPS logP 5.16 Chemaxon logS -6.4 ALOGPS pKa (Strongest Basic) 10.36 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 24.92 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 99.37 m3·mol-1 Chemaxon Polarizability 38.2 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No 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 splash10-014i-0009000000-2e33b6622672ff25290b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-895dd4efd434af6d85bf Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-088b1e872e0d6a0a9fa6 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-3cbd29f093ea9b70db18 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00fr-0090000000-2f5da69c8d38860ed9d3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0292000000-7079995116db41e1a32f 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]- 190.7700846 predictedDarkChem Lite v0.1.0 [M+H]+ 191.4098846 predictedDarkChem Lite v0.1.0 [M+Na]+ 191.4687846 predictedDarkChem Lite v0.1.0
Drug created at February 22, 2018 16:03 / Updated at February 21, 2021 18:54