Selenocysteine
Identification
- Generic Name
- Selenocysteine
- DrugBank Accession Number
- DB02345
- Background
A naturally occurring amino acid in both eukaryotic and prokaryotic organisms. It is found in tRNAs and in the catalytic site of some enzymes. The genes for glutathione peroxidase and formate dehydrogenase contain the TGA codon, which codes for this amino acid. [PubChem]
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Selenocysteine (DB02345)
- Weight
- Average: 168.05
Monoisotopic: 168.964200301 - Chemical Formula
- C3H7NO2Se
- Synonyms
- 3-selenyl-L-alanine
- L-selenocysteine
- Selenium cysteine
Pharmacology
- Indication
Not Available
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UCathelicidin antimicrobial peptide Not Available Humans UNucleoside diphosphate kinase A Not Available Humans UFormate dehydrogenase H Not Available Escherichia coli (strain K12) UCysteine desulfurase Not Available Escherichia coli (strain K12) - 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
Not Available
- Pathways
Pathway Category Selenoamino Acid Metabolism Metabolic - 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 Selenocysteine can be decreased when combined with Eltrombopag. 
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- Not Available
Products
Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets- Active Moieties
Name Kind UNII CAS InChI Key Selenium unknown H6241UJ22B 7782-49-2 BUGBHKTXTAQXES-UHFFFAOYSA-N - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Dialyvite 3000 Selenocysteine (70 ug/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (1 mg/1) + Folic acid (3 mg/1) + Nicotinamide (20 mg/1) + Calcium pantothenate (10 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (1.7 mg/1) + Thiamine mononitrate (1.5 mg/1) + Zinc citrate (15 mg/1) + alpha-Tocopherol succinate (30 [iU]/1) Tablet, coated Oral Hillestad Pharmaceuticals Usa 2004-02-01 Not applicable US 
Dialyvite 5000 Selenocysteine (70 ug/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cobalamin (2 mg/1) + Folic acid (5 mg/1) + Nicotinamide (20 mg/1) + Calcium pantothenate (10 mg/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (1.7 mg/1) + Thiamine mononitrate (1.5 mg/1) + Zinc citrate (25 mg/1) + alpha-Tocopherol succinate (30 [iU]/1) Tablet, coated Oral Hillestad Pharmaceuticals Usa 2008-05-01 Not applicable US Dialyvite Supreme D Selenocysteine (70 ug/1) + Ascorbic acid (100 mg/1) + Biotin (300 ug/1) + Cholecalciferol (2000 [iU]/1) + Cobalamin (1 mg/1) + Folic acid (3 mg/1) + Nicotinamide (20 mg/1) + Calcium pantothenate (10 mg/1) + Pyridoxine hydrochloride (25 mg/1) + Riboflavin (1.7 mg/1) + Thiamine mononitrate (1.5 mg/1) + Zinc citrate (15 mg/1) + alpha-Tocopherol succinate (30 [iU]/1) Tablet, coated Oral Hillestad Pharmaceuticals Usa 2010-09-08 Not applicable US
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 / Monocarboxylic acids and derivatives / Carboxylic acids / Selenols / 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
- proteinogenic amino acid, L-alpha-amino acid, L-alanine derivative, selenocysteine (CHEBI:16633) / Other amino acids (C05688)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0CH9049VIS
- CAS number
- 10236-58-5
- InChI Key
- ZKZBPNGNEQAJSX-REOHCLBHSA-N
- InChI
- InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
- IUPAC Name
- (2R)-2-amino-3-selanylpropanoic acid
- SMILES
- N[C@@H](C[SeH])C(O)=O
References
- General References
- Zinoni F, Birkmann A, Stadtman TC, Bock A: Nucleotide sequence and expression of the selenocysteine-containing polypeptide of formate dehydrogenase (formate-hydrogen-lyase-linked) from Escherichia coli. Proc Natl Acad Sci U S A. 1986 Jul;83(13):4650-4. [Article]
- External Links
- Human Metabolome Database
- HMDB0003288
- KEGG Compound
- C05688
- PubChem Compound
- 6326983
- PubChem Substance
- 46508133
- ChemSpider
- 23436
- 1549332
- ChEBI
- 16633
- ChEMBL
- CHEMBL109962
- PDBe Ligand
- SEC
- Wikipedia
- Selenocysteine
- PDB Entries
- 1aa6 / 1cc1 / 1fdi / 1fdo / 1h0h / 1kmk / 1kqf / 1kqg / 1pae / 1pfp … show 51 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet, coated Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 143-146 °C PhysProp water solubility 3.92E+005 mg/L (at 0 °C) STEPHEN,H & STEPHEN,T (1963) - Predicted Properties
Property Value Source Water Solubility 325.0 mg/mL ALOGPS logP -3.2 ALOGPS logP -4.1 ChemAxon logS 0.29 ALOGPS pKa (Strongest Acidic) 1.27 ChemAxon pKa (Strongest Basic) 8.42 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 63.32 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 33.45 m3·mol-1 ChemAxon Polarizability 10.67 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 + 0.9454 Blood Brain Barrier + 0.5652 Caco-2 permeable - 0.7223 P-glycoprotein substrate Non-substrate 0.7899 P-glycoprotein inhibitor I Non-inhibitor 0.9841 P-glycoprotein inhibitor II Non-inhibitor 0.9834 Renal organic cation transporter Non-inhibitor 0.9391 CYP450 2C9 substrate Non-substrate 0.8503 CYP450 2D6 substrate Non-substrate 0.815 CYP450 3A4 substrate Non-substrate 0.817 CYP450 1A2 substrate Non-inhibitor 0.938 CYP450 2C9 inhibitor Non-inhibitor 0.9535 CYP450 2D6 inhibitor Non-inhibitor 0.9623 CYP450 2C19 inhibitor Non-inhibitor 0.959 CYP450 3A4 inhibitor Non-inhibitor 0.9549 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9919 Ames test AMES toxic 0.6345 Carcinogenicity Non-carcinogens 0.7841 Biodegradation Ready biodegradable 0.941 Rat acute toxicity 1.5769 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9863 hERG inhibition (predictor II) Non-inhibitor 0.9697
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-01b9-0900000000-fadd5a69b2b225d034ac Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01b9-0900000000-8fe6412cebc1ca99fe59 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00dl-5900000000-2408222e037ff9db752a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0900000000-91ba91d891f89ff1fc23 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00kk-6900000000-67c579b8ba30e155bcb3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-9200000000-0b58b77f13cec3df121d
Targets
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with our fully connected ADMET & drug target dataset.
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Binds to bacterial lipopolysaccharides (LPS), has antibacterial activity.
- Gene Name
- CAMP
- Uniprot ID
- P49913
- Uniprot Name
- Cathelicidin antimicrobial peptide
- Molecular Weight
- 19301.175 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ribosomal small subunit binding
- Specific Function
- Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-sit...
- Gene Name
- NME1
- Uniprot ID
- P15531
- Uniprot Name
- Nucleoside diphosphate kinase A
- Molecular Weight
- 17148.635 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Nadh dehydrogenase activity
- Specific Function
- Decomposes formic acid to hydrogen and carbon dioxide under anaerobic conditions in the absence of exogenous electron acceptors.
- Gene Name
- fdhF
- Uniprot ID
- P07658
- Uniprot Name
- Formate dehydrogenase H
- Molecular Weight
- 79373.25 Da
References
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Selenocysteine lyase activity
- Specific Function
- Cysteine desulfurases mobilize the sulfur from L-cysteine to yield L-alanine, an essential step in sulfur metabolism for biosynthesis of a variety of sulfur-containing biomolecules. Component of th...
- Gene Name
- sufS
- Uniprot ID
- P77444
- Uniprot Name
- Cysteine desulfurase
- Molecular Weight
- 44433.435 Da
References
Drug created on June 13, 2005 13:24 / Updated on July 02, 2020 13:15