This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Pyridoxamine
- DrugBank Accession Number
- DB11673
- Background
Pyridoxamine has been used in trials studying the treatment of Kidney Stones.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Pyridoxamine (DB11673)
- Weight
- Average: 168.1931
Monoisotopic: 168.089877638 - Chemical Formula
- C8H12N2O2
- Synonyms
- Not Available
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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 Pyridoxamine hydrochloride 58WN04G9K9 5103-96-8 PFIPZKASKUWLHH-UHFFFAOYSA-N Pyridoxamine phosphate QWW7V29814 84878-64-8 XYFGQXNREWPENX-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyridoxamine 5'-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5'-position.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Pyridoxamines
- Direct Parent
- Pyridoxamine 5'-phosphates
- Alternative Parents
- Methylpyridines / Hydroxypyridines / Aralkylamines / Heteroaromatic compounds / Azacyclic compounds / Primary alcohols / Organopnictogen compounds / Monoalkylamines / Hydrocarbon derivatives / Aromatic alcohols
- Substituents
- Alcohol / Amine / Aralkylamine / Aromatic alcohol / Aromatic heteromonocyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / Hydroxypyridine / Methylpyridine
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- monohydroxypyridine, aminoalkylpyridine, vitamin B6, hydroxymethylpyridine (CHEBI:16410) / Water-soluble vitamins (C00534)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6466NM3W93
- CAS number
- 85-87-0
- InChI Key
- NHZMQXZHNVQTQA-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
- IUPAC Name
- 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
- SMILES
- CC1=C(O)C(CN)=C(CO)C=N1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001431
- KEGG Compound
- C00534
- PubChem Compound
- 1052
- PubChem Substance
- 347828041
- ChemSpider
- 1023
- ChEBI
- 16410
- ChEMBL
- CHEMBL593019
- ZINC
- ZINC000034926229
- PDBe Ligand
- PXM
- Wikipedia
- Pyridoxamine
- PDB Entries
- 1rft / 2z9v / 4ha6 / 6k90
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 2 Withdrawn Treatment Kidney Stones 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 29.0 mg/mL ALOGPS logP -1.2 ALOGPS logP -1.6 Chemaxon logS -0.76 ALOGPS pKa (Strongest Acidic) 7.81 Chemaxon pKa (Strongest Basic) 9.61 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 79.37 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 45.76 m3·mol-1 Chemaxon Polarizability 17.52 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]- 139.2155573 predictedDarkChem Lite v0.1.0 [M-H]- 133.4644751 predictedDarkChem Standard v0.1.0 [M-H]- 138.9674573 predictedDarkChem Lite v0.1.0 [M-H]- 133.8179 predictedDeepCCS 1.0 (2019) [M+H]+ 139.4886573 predictedDarkChem Lite v0.1.0 [M+H]+ 140.7317972 predictedDarkChem Standard v0.1.0 [M+H]+ 139.7207573 predictedDarkChem Lite v0.1.0 [M+H]+ 137.64525 predictedDeepCCS 1.0 (2019) [M+Na]+ 139.0536573 predictedDarkChem Lite v0.1.0 [M+Na]+ 147.8590323 predictedDarkChem Standard v0.1.0 [M+Na]+ 139.1872573 predictedDarkChem Lite v0.1.0 [M+Na]+ 146.76646 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:38 / Updated at June 28, 2022 02:12