Dioxyselenocysteine
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Identification
- Generic Name
- Dioxyselenocysteine
- DrugBank Accession Number
- DB02442
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 200.05
Monoisotopic: 200.954029545 - Chemical Formula
- C3H7NO4Se
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism USubtilisin BPN' Not Available Bacillus amyloliquefaciens - 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
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- 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 Dioxyselenocysteine can be decreased when combined with Eltrombopag. - Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- LQMXQNUAKTVFAG-REOHCLBHSA-N
- InChI
- InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)/t2-/m0/s1
- IUPAC Name
- (2R)-2-amino-3-selenonylpropanoic acid
- SMILES
- [H][C@](N)(C[SeH](=O)=O)C(O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1ubn
Clinical Trials
- Clinical Trials
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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 215.0 mg/mL ALOGPS logP -3.2 ALOGPS logP -4.8 Chemaxon logS 0.03 ALOGPS pKa (Strongest Acidic) 1.15 Chemaxon pKa (Strongest Basic) 8.05 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 97.46 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 36.03 m3·mol-1 Chemaxon Polarizability 12.78 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 + 0.6103 Blood Brain Barrier - 0.5206 Caco-2 permeable - 0.7354 P-glycoprotein substrate Non-substrate 0.7986 P-glycoprotein inhibitor I Non-inhibitor 0.9735 P-glycoprotein inhibitor II Non-inhibitor 1.0 Renal organic cation transporter Non-inhibitor 0.96 CYP450 2C9 substrate Non-substrate 0.8616 CYP450 2D6 substrate Non-substrate 0.8322 CYP450 3A4 substrate Non-substrate 0.7324 CYP450 1A2 substrate Non-inhibitor 0.9382 CYP450 2C9 inhibitor Non-inhibitor 0.9505 CYP450 2D6 inhibitor Non-inhibitor 0.9445 CYP450 2C19 inhibitor Non-inhibitor 0.9567 CYP450 3A4 inhibitor Non-inhibitor 0.9143 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 1.0 Ames test Non AMES toxic 0.7222 Carcinogenicity Non-carcinogens 0.8105 Biodegradation Ready biodegradable 0.8068 Rat acute toxicity 1.6160 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9748 hERG inhibition (predictor II) Non-inhibitor 0.9734
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 125.96304 predictedDeepCCS 1.0 (2019) [M+H]+ 128.5384 predictedDeepCCS 1.0 (2019) [M+Na]+ 137.27608 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsSubtilisin BPN'
- Kind
- Protein
- Organism
- Bacillus amyloliquefaciens
- Pharmacological action
- Unknown
- General Function
- Subtilisin is an extracellular alkaline serine protease, it catalyzes the hydrolysis of proteins and peptide amides. Has a high substrate specificity to fibrin.
- Specific Function
- metal ion binding
- Gene Name
- apr
- Uniprot ID
- P00782
- Uniprot Name
- Subtilisin BPN'
- Molecular Weight
- 39180.935 Da
References
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:16