7-Methylguanosine
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Identification
- Generic Name
- 7-Methylguanosine
- DrugBank Accession Number
- DB03493
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 298.2752
Monoisotopic: 298.115143647 - Chemical Formula
- C11H16N5O5
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UCap-specific mRNA (nucleoside-2'-O-)-methyltransferase Not Available VACV - 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Purine nucleosides
- Sub Class
- Not Available
- Direct Parent
- Purine nucleosides
- Alternative Parents
- Glycosylamines / 6-oxopurines / Pentoses / Hypoxanthines / Pyrimidones / Aminopyrimidines and derivatives / N-substituted imidazoles / Vinylogous amides / Tetrahydrofurans / Heteroaromatic compounds show 9 more
- Substituents
- 6-oxopurine / Alcohol / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Glycosyl compound / Heteroaromatic compound / Hydrocarbon derivative show 25 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- organic cation, methylguanosine (CHEBI:20794)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5290OM2I6G
- CAS number
- Not Available
- InChI Key
- OGHAROSJZRTIOK-KQYNXXCUSA-O
- InChI
- InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1
- IUPAC Name
- 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-6-oxo-6,7-dihydro-3H-9lambda5-purin-9-ylium
- SMILES
- CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001107
- PubChem Compound
- 445404
- PubChem Substance
- 46504698
- ChemSpider
- 393054
- ChEBI
- 20794
- ChEMBL
- CHEMBL1234293
- ZINC
- ZINC000018130229
- PDBe Ligand
- MG7
- Wikipedia
- 7-Methylguanosine
- PDB Entries
- 1eqa / 4dcg / 4nv0 / 6k32 / 7dox
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 5.61 mg/mL ALOGPS logP -1.4 ALOGPS logP -6.2 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 9.92 Chemaxon pKa (Strongest Basic) 0.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 146.21 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 69.38 m3·mol-1 Chemaxon Polarizability 28.47 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 + 0.8258 Blood Brain Barrier + 0.7825 Caco-2 permeable - 0.8238 P-glycoprotein substrate Non-substrate 0.5475 P-glycoprotein inhibitor I Non-inhibitor 0.9848 P-glycoprotein inhibitor II Non-inhibitor 0.9858 Renal organic cation transporter Non-inhibitor 0.9439 CYP450 2C9 substrate Non-substrate 0.8088 CYP450 2D6 substrate Non-substrate 0.8351 CYP450 3A4 substrate Non-substrate 0.5254 CYP450 1A2 substrate Non-inhibitor 0.8016 CYP450 2C9 inhibitor Non-inhibitor 0.942 CYP450 2D6 inhibitor Non-inhibitor 0.9494 CYP450 2C19 inhibitor Non-inhibitor 0.94 CYP450 3A4 inhibitor Non-inhibitor 0.9899 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9943 Ames test Non AMES toxic 0.7763 Carcinogenicity Non-carcinogens 0.9153 Biodegradation Not ready biodegradable 0.8176 Rat acute toxicity 2.1658 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9749 hERG inhibition (predictor II) Non-inhibitor 0.9107
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-004l-7490000000-25f4400703ded15175af MS/MS Spectrum - Quattro_QQQ 10V, Positive LC-MS/MS splash10-014i-0920000000-f380f5b5ae1c6d006622 MS/MS Spectrum - Quattro_QQQ 25V, Positive LC-MS/MS splash10-014i-0900000000-4b027f424e6fda6ac5e7 MS/MS Spectrum - Quattro_QQQ 40V, Positive LC-MS/MS splash10-00kb-0900000000-f6e41ae90d0d537e5c37 1H NMR Spectrum 1D NMR Not Applicable Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable [1H,13C] 2D NMR Spectrum 2D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 179.2823704 predictedDarkChem Lite v0.1.0 [M-H]- 179.8616704 predictedDarkChem Lite v0.1.0 [M-H]- 161.23906 predictedDeepCCS 1.0 (2019) [M+H]+ 179.1001704 predictedDarkChem Lite v0.1.0 [M+H]+ 179.7693704 predictedDarkChem Lite v0.1.0 [M+H]+ 163.60077 predictedDeepCCS 1.0 (2019) [M+Na]+ 179.5974704 predictedDarkChem Lite v0.1.0 [M+Na]+ 180.1487704 predictedDarkChem Lite v0.1.0 [M+Na]+ 169.51329 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- VACV
- Pharmacological action
- Unknown
- General Function
- Translation elongation factor activity
- Specific Function
- Displays methyltransferase, positive regulation of the poly(A) polymerase and transcription elongation activities. Involved in the modification of both mRNA ends and in intermediate and late gene p...
- Gene Name
- PAPS
- Uniprot ID
- P07617
- Uniprot Name
- Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase
- Molecular Weight
- 38887.65 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52