Identification
- Generic Name
- Selenomethionine Selenoxide
- DrugBank Accession Number
- DB02958
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Selenomethionine Selenoxide (DB02958)
- Weight
- Average: 212.11
Monoisotopic: 212.990415051 - Chemical Formula
- C5H11NO3Se
- 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
- 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 softwareEltrombopag The bioavailability of Selenomethionine Selenoxide can be decreased when combined with Eltrombopag. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- L-alpha-amino acids
- Alternative Parents
- Fatty acids and conjugates / Selenoxides / Amino acids / Selenoethers / Seleninyl compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Monoalkylamines / Hydrocarbon derivatives show 1 more
- Substituents
- Aliphatic acyclic compound / Amine / Amino acid / Carbonyl group / Carboxylic acid / Fatty acid / Hydrocarbon derivative / L-alpha-amino acid / Monocarboxylic acid or derivatives / Organic nitrogen compound show 10 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- KGXZPWNBFWCDRF-YGVKFDHGSA-N
- InChI
- InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
- IUPAC Name
- (2S)-2-amino-4-methaneseleninylbutanoic acid
- SMILES
- [H][C@](N)(CC[Se](C)=O)C(O)=O
References
- General References
- Not Available
- External Links
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 105.0 mg/mL ALOGPS logP -2.9 ALOGPS logP -4 Chemaxon logS -0.31 ALOGPS pKa (Strongest Acidic) 1.6 Chemaxon pKa (Strongest Basic) 9.11 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 80.39 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 44.74 m3·mol-1 Chemaxon Polarizability 15.95 Å3 Chemaxon Number of Rings 0 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
Property Value Probability Human Intestinal Absorption + 0.923 Blood Brain Barrier + 0.7801 Caco-2 permeable - 0.6667 P-glycoprotein substrate Substrate 0.5 P-glycoprotein inhibitor I Non-inhibitor 0.9575 P-glycoprotein inhibitor II Non-inhibitor 1.0 Renal organic cation transporter Non-inhibitor 0.9118 CYP450 2C9 substrate Non-substrate 0.8248 CYP450 2D6 substrate Non-substrate 0.7866 CYP450 3A4 substrate Non-substrate 0.6504 CYP450 1A2 substrate Non-inhibitor 0.7696 CYP450 2C9 inhibitor Non-inhibitor 0.9314 CYP450 2D6 inhibitor Non-inhibitor 0.9454 CYP450 2C19 inhibitor Non-inhibitor 0.9388 CYP450 3A4 inhibitor Non-inhibitor 0.8939 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 1.0 Ames test Non AMES toxic 0.8846 Carcinogenicity Non-carcinogens 0.9025 Biodegradation Ready biodegradable 0.7358 Rat acute toxicity 1.3577 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9545 hERG inhibition (predictor II) Non-inhibitor 0.9589
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 131.4665 predictedDeepCCS 1.0 (2019) [M+H]+ 134.24522 predictedDeepCCS 1.0 (2019) [M+Na]+ 143.17809 predictedDeepCCS 1.0 (2019)
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52