This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Trigonellamide
- DrugBank Accession Number
- DB11710
- Background
Trigonellamide is under investigation in clinical trial NCT01930240 (The Safety of a Hypolipidemic Agent in Healthy Normal Volunteers).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Trigonellamide (DB11710)
- Weight
- Average: 137.1592
Monoisotopic: 137.07148792 - Chemical Formula
- C7H9N2O
- Synonyms
- Not Available
- External IDs
- Tria 662
Pharmacology
- Indication
Not Available
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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
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Trigonellamide Chloride L54XNJ1D5G 1005-24-9 BWVDQVQUNNBTLK-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Pyridinecarboxylic acids and derivatives
- Direct Parent
- Nicotinamides
- Alternative Parents
- N-methylpyridinium compounds / Pyridinium derivatives / Vinylogous amides / Heteroaromatic compounds / Primary carboxylic acid amides / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organonitrogen compounds / Organic oxides show 2 more
- Substituents
- Aromatic heteromonocyclic compound / Azacycle / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / N-methylpyridinium / Nicotinamide / Organic cation / Organic nitrogen compound show 8 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- pyridinium ion (CHEBI:16797) / a small molecule (CPD-396)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- UM47085BXC
- CAS number
- 3106-60-3
- InChI Key
- LDHMAVIPBRSVRG-UHFFFAOYSA-O
- InChI
- InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
- IUPAC Name
- 3-carbamoyl-1-methylpyridin-1-ium
- SMILES
- C[N+]1=CC=CC(=C1)C(N)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000699
- KEGG Compound
- C02918
- PubChem Compound
- 457
- PubChem Substance
- 347828075
- ChemSpider
- 444
- BindingDB
- 50416500
- ChEBI
- 16797
- ChEMBL
- CHEMBL71733
- ZINC
- ZINC000000155368
- PDBe Ligand
- 8GC
- Wikipedia
- 1-Methylnicotinamide
- PDB Entries
- 5xvk / 5xvq
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Hypertriglyceridemias / Mixed Hyperlipidemia 1 2, 3 Completed Treatment Hyperlipidemias 1 1 Completed Not Available Healthy Volunteers (HV) 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 0.725 mg/mL ALOGPS logP -3.7 ALOGPS logP -4.3 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 12.24 Chemaxon pKa (Strongest Basic) -1.5 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.97 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 39.13 m3·mol-1 Chemaxon Polarizability 14.25 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 129.1754632 predictedDarkChem Lite v0.1.0 [M-H]- 129.3196632 predictedDarkChem Lite v0.1.0 [M-H]- 129.5112632 predictedDarkChem Lite v0.1.0 [M-H]- 129.07881 predictedDeepCCS 1.0 (2019) [M+H]+ 130.0675632 predictedDarkChem Lite v0.1.0 [M+H]+ 130.0488632 predictedDarkChem Lite v0.1.0 [M+H]+ 129.7644632 predictedDarkChem Lite v0.1.0 [M+H]+ 131.3026 predictedDeepCCS 1.0 (2019) [M+Na]+ 129.3619632 predictedDarkChem Lite v0.1.0 [M+Na]+ 129.1574632 predictedDarkChem Lite v0.1.0 [M+Na]+ 129.2595632 predictedDarkChem Lite v0.1.0 [M+Na]+ 138.91524 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:41 / Updated at June 12, 2020 16:53