2'-C-methylcytidine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- 2'-C-methylcytidine
- DrugBank Accession Number
- DB13921
- Background
A nucleoside analog with anti-hepatitis C virus (HCV) activity. Upon phosphorylation into its 5-triphosphate form, this metabolite inhibits viral RNA chain elongation and viral RNA-dependent RNA polymerase activity. This blocks viral production of HCV RNA and thus viral replication.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 257.246
Monoisotopic: 257.101170595 - Chemical Formula
- C10H15N3O5
- Synonyms
- 2'-C-Mecytosin
- 2'C-Me-C
- External IDs
- NM 107
- NM-107
Pharmacology
- Indication
Not Available
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- 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. 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 27FS20C1D8
- CAS number
- 20724-73-6
- InChI Key
- PPUDLEUZKVJXSZ-VPCXQMTMSA-N
- InChI
- InChI=1S/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,10-/m1/s1
- IUPAC Name
- 4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1,2-dihydropyrimidin-2-one
- SMILES
- C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(N)=NC1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 438226
- ChEMBL
- CHEMBL438605
- ZINC
- ZINC000003816981
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 21.5 mg/mL ALOGPS logP -1.9 ALOGPS logP -2.5 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 12.43 Chemaxon pKa (Strongest Basic) 4.28 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 128.61 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 59.18 m3·mol-1 Chemaxon Polarizability 24.39 Å3 Chemaxon Number of Rings 2 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0390000000-077b0b90fa51a022af50 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0bt9-1950000000-b9da580e4f6e7a7d2bb9 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03xr-1920000000-44f901542d899ee71cb5 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-3910000000-50f663299fa893c346a7 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0400-4900000000-d39d7e4b0045c35b5d44 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-01ox-8920000000-6857b7dbf9f440e486cf Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 166.1779554 predictedDarkChem Lite v0.1.0 [M+H]+ 166.7144554 predictedDarkChem Lite v0.1.0 [M+Na]+ 166.6967554 predictedDarkChem Lite v0.1.0
Drug created at October 23, 2017 15:35 / Updated at June 12, 2020 16:53