Lavoltidine
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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
- Lavoltidine
- DrugBank Accession Number
- DB12884
- Background
Lavoltidine has been used in trials studying the diagnostic of Reflux, Gastroesophageal and Gastroesophageal Reflux Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 359.474
Monoisotopic: 359.232125194 - Chemical Formula
- C19H29N5O2
- Synonyms
- lavoltidina
- Lavoltidine
- Loxtidina
- External IDs
- AH 23844
- AH-23844
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmphetamine Amphetamine may decrease the sedative activities of Lavoltidine. Amprenavir Lavoltidine can cause a decrease in the absorption of Amprenavir resulting in a reduced serum concentration and potentially a decrease in efficacy. Asunaprevir Lavoltidine can cause a decrease in the absorption of Asunaprevir resulting in a reduced serum concentration and potentially a decrease in efficacy. Atazanavir Lavoltidine can cause a decrease in the absorption of Atazanavir resulting in a reduced serum concentration and potentially a decrease in efficacy. Benzphetamine Benzphetamine may decrease the sedative activities of Lavoltidine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Benzylpiperidines
- Direct Parent
- N-benzylpiperidines
- Alternative Parents
- Phenylmethylamines / Phenoxy compounds / Phenol ethers / Benzylamines / Secondary alkylarylamines / Aralkylamines / Alkyl aryl ethers / Triazoles / Heteroaromatic compounds / Trialkylamines show 5 more
- Substituents
- 1,2,4-triazole / Alcohol / Alkyl aryl ether / Amine / Aralkylamine / Aromatic alcohol / Aromatic heteromonocyclic compound / Azacycle / Azole / Benzenoid show 19 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- piperidines, aromatic ether, primary alcohol, triazoles (CHEBI:6550)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- X16K5179V5
- CAS number
- 76956-02-0
- InChI Key
- VTLNPNNUIJHJQB-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)
- IUPAC Name
- {1-methyl-5-[(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)amino]-1H-1,2,4-triazol-3-yl}methanol
- SMILES
- CN1N=C(CO)N=C1NCCCOC1=CC=CC(CN2CCCCC2)=C1
References
- General References
- Not Available
- External Links
- KEGG Compound
- C11805
- PubChem Compound
- 55473
- PubChem Substance
- 347829039
- ChemSpider
- 50093
- ChEBI
- 6550
- ChEMBL
- CHEMBL2110857
- ZINC
- ZINC000001532377
- Wikipedia
- Lavoltidine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Diagnostic Gastro-esophageal Reflux Disease (GERD) / Gastroesophageal Reflux 1 1 Completed Diagnostic Gastro-esophageal Reflux Disease (GERD) / Gastroesophageal Reflux 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 0.291 mg/mL ALOGPS logP 2.94 ALOGPS logP 2.03 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 13.45 Chemaxon pKa (Strongest Basic) 8.74 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 75.44 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 116.23 m3·mol-1 Chemaxon Polarizability 41.31 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-03di-0009000000-0bb58add82278a332a1e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0419000000-a94b444cb1c65bc51094 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03e9-1329000000-7bb1462eed1942343fdb Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0adi-0496000000-89d79e40388535181009 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-4976000000-6b2b4cca3a1a49327016 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-006y-7791000000-be96842affbb1af2cf45 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]- 195.6085003 predictedDarkChem Lite v0.1.0 [M-H]- 186.43979 predictedDeepCCS 1.0 (2019) [M+H]+ 195.0890003 predictedDarkChem Lite v0.1.0 [M+H]+ 188.79779 predictedDeepCCS 1.0 (2019) [M+Na]+ 196.0058003 predictedDarkChem Lite v0.1.0 [M+Na]+ 194.89095 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:59 / Updated at February 21, 2021 18:54