Lavoltidine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
Target Actions Organism AHistamine H2 receptor antagonistHumans - 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
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Diagnostic Gastro-esophageal Reflux Disease (GERD) / Gastroesophageal Reflux 1 somestatus stop reason just information to hide 1 Completed Diagnostic Gastro-esophageal Reflux Disease (GERD) / Gastroesophageal Reflux 1 somestatus stop reason just information to hide
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)
Targets
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1. DetailsHistamine H2 receptor
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Antagonist
- General Function
- The H2 subclass of histamine receptors mediates gastric acid secretion. Also appears to regulate gastrointestinal motility and intestinal secretion. Possible role in regulating cell growth and differentiation. The activity of this receptor is mediated by G proteins which activate adenylyl cyclase and, through a separate G protein-dependent mechanism, the phosphoinositide/protein kinase (PKC) signaling pathway (By similarity)
- Specific Function
- G protein-coupled serotonin receptor activity
- Gene Name
- HRH2
- Uniprot ID
- P25021
- Uniprot Name
- Histamine H2 receptor
- Molecular Weight
- 40097.65 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 21, 2016 00:59 / Updated at August 27, 2024 19:16