Identification
- Generic Name
- Selenoinosine
- DrugBank Accession Number
- DB02753
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Selenoinosine (DB02753)
- Weight
- Average: 331.19
Monoisotopic: 332.00237672 - Chemical Formula
- C10H12N4O4Se
- 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
Target Actions Organism UNucleoside deoxyribosyltransferase-I Not Available Lactobacillus helveticus - 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 Selenoinosine 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
- 40093-99-0
- InChI Key
- MXLAAGNIPFEHEI-KQYNXXCUSA-N
- InChI
- InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1
- IUPAC Name
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-selanyl-9H-purin-9-yl)oxolane-3,4-diol
- SMILES
- [H][C@]1(CO)O[C@@]([H])(N2C=NC3=C2N=CN=C3[SeH])[C@]([H])(O)[C@]1([H])O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1s3f
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 39.6 mg/mL ALOGPS logP -1.2 ALOGPS logP -2.2 Chemaxon logS -0.92 ALOGPS pKa (Strongest Acidic) 7.44 Chemaxon pKa (Strongest Basic) -0.19 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 113.52 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 71.83 m3·mol-1 Chemaxon Polarizability 26.1 Å3 Chemaxon Number of Rings 3 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 + 0.9252 Blood Brain Barrier + 0.8419 Caco-2 permeable - 0.8714 P-glycoprotein substrate Non-substrate 0.6963 P-glycoprotein inhibitor I Non-inhibitor 0.9528 P-glycoprotein inhibitor II Non-inhibitor 0.9111 Renal organic cation transporter Non-inhibitor 0.9361 CYP450 2C9 substrate Non-substrate 0.812 CYP450 2D6 substrate Non-substrate 0.8276 CYP450 3A4 substrate Non-substrate 0.5729 CYP450 1A2 substrate Non-inhibitor 0.88 CYP450 2C9 inhibitor Non-inhibitor 0.9518 CYP450 2D6 inhibitor Non-inhibitor 0.9671 CYP450 2C19 inhibitor Non-inhibitor 0.9369 CYP450 3A4 inhibitor Non-inhibitor 0.9716 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9525 Ames test Non AMES toxic 0.8883 Carcinogenicity Non-carcinogens 0.925 Biodegradation Not ready biodegradable 0.8712 Rat acute toxicity 2.1751 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9833 hERG inhibition (predictor II) Non-inhibitor 0.8953
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 160.74785 predictedDeepCCS 1.0 (2019) [M+H]+ 163.14342 predictedDeepCCS 1.0 (2019) [M+Na]+ 171.02016 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Lactobacillus helveticus
- Pharmacological action
- Unknown
- General Function
- Nucleoside deoxyribosyltransferase activity
- Specific Function
- Not Available
- Gene Name
- ptd
- Uniprot ID
- Q8RLY5
- Uniprot Name
- Nucleoside 2-deoxyribosyltransferase
- Molecular Weight
- 18713.08 Da
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52