Lumicitabine
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Lumicitabine
- DrugBank Accession Number
- DB14808
- Background
Lumicitabine is under investigation in clinical trial NCT03010059 (A Study to Assess the Relative Bioavailability of JNJ64041575 Administered as 2 Different New Concept Formulations (Oral Suspension and Tablet) Compared to Their Respective Current Formulations, and to Assess the Effect of Food on the Pharmacokinetics of the 2 New Concept Formulations).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 433.86
Monoisotopic: 433.1415914 - Chemical Formula
- C18H25ClFN3O6
- Synonyms
- ALS-008176
- Lumicitabine
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
- BNW5PQ52G1
- CAS number
- 1445385-02-3
- InChI Key
- MJVKYGMNSQJLIN-KYZVSKTDSA-N
- InChI
- InChI=1S/C18H25ClFN3O6/c1-9(2)15(24)27-8-18(7-19)13(28-16(25)10(3)4)12(20)14(29-18)23-6-5-11(21)22-17(23)26/h5-6,9-10,12-14H,7-8H2,1-4H3,(H2,21,22,26)/t12-,13+,14-,18-/m1/s1
- IUPAC Name
- [(2R,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoate
- SMILES
- CC(C)C(=O)OC[C@@]1(CCl)O[C@H]([C@H](F)[C@@H]1OC(=O)C(C)C)N1C=CC(N)=NC1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 58171803
- ChEMBL
- CHEMBL3417258
- ZINC
- ZINC000147003908
- Wikipedia
- Lumicitabine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Other Respiratory Syncytial Virus (RSV) Infection 1 2 Completed Treatment Respiratory Syncytial Virus (RSV) Infection 2 2 Terminated Treatment Respiratory Syncytial Virus (RSV) 2 2 Withdrawn Treatment Metapneumovirus 1 1 Completed Not Available Respiratory Syncytial Virus (RSV) Infection 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.063 mg/mL ALOGPS logP 2.11 ALOGPS logP 2.05 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 19.22 Chemaxon pKa (Strongest Basic) 3.82 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 120.52 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 98.79 m3·mol-1 Chemaxon Polarizability 41.59 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 splash10-001i-1014900000-df6435f5084d19f7c294 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-01vo-0093000000-5bee7a7175d5d076069e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-07c6-9206500000-1060939ac1c9b9ca65f4 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01q0-7059000000-e8e945f5911431e6b582 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03dl-4619000000-85aa6ca36700043f9c2d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000l-5398000000-fcd1b313428491f7a4d8 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:28 / Updated at February 21, 2021 18:54