This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Methylselenocysteine
- DrugBank Accession Number
- DB12697
- Background
Methylselenocysteine has been used in trials studying the prevention of Prostate Carcinoma and No Evidence of Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Methylselenocysteine (DB12697)
- Weight
- Average: 182.08
Monoisotopic: 182.979850365 - Chemical Formula
- C4H9NO2Se
- Synonyms
- SE-METHYL-SELENO-L-CYSTEINE
Pharmacology
- Indication
Not Available
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Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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 softwareArticaine The risk or severity of methemoglobinemia can be increased when Methylselenocysteine is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Methylselenocysteine is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Methylselenocysteine is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Methylselenocysteine is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Methylselenocysteine is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Methylselenocysteine is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Methylselenocysteine is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Methylselenocysteine is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Methylselenocysteine is combined with Cinchocaine. Cocaine The risk or severity of methemoglobinemia can be increased when Methylselenocysteine is combined with Cocaine. 
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- 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
- Amino acids / Selenoethers / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Amine / Amino acid / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / L-alpha-amino acid / Monocarboxylic acid or derivatives / Organic nitrogen compound / Organic oxide
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- non-proteinogenic L-alpha-amino acid, Se-methylselenocysteine, L-selenocysteine derivative (CHEBI:27812)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- TWK220499Z
- CAS number
- 26046-90-2
- InChI Key
- XDSSPSLGNGIIHP-VKHMYHEASA-N
- InChI
- InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
- IUPAC Name
- (2R)-2-amino-3-(methylselanyl)propanoic acid
- SMILES
- C[Se]C[C@H](N)C(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0004113
- KEGG Compound
- C05689
- PubChem Compound
- 147004
- PubChem Substance
- 347828898
- ChemSpider
- 129633
- ChEBI
- 27812
- ChEMBL
- CHEMBL62382
- Wikipedia
- Methylselenocysteine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Prevention Healthy, no Evidence of Disease 1 1 Completed Prevention No Evidence of Disease / Prostate Carcinoma 1 1 Not Yet Recruiting Prevention Colorectal Adenomas 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 156.0 mg/mL ALOGPS logP -2.8 ALOGPS logP -3.5 Chemaxon logS -0.07 ALOGPS pKa (Strongest Acidic) 1.46 Chemaxon pKa (Strongest Basic) 8.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 63.32 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 38.2 m3·mol-1 Chemaxon Polarizability 12.89 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Drug created at October 20, 2016 23:40 / Updated at June 12, 2020 16:53