Lumicitabine

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

Reduce drug development failure rates
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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
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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.
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
ChemSpider
58171803
ChEMBL
CHEMBL3417258
ZINC
ZINC000147003908
Wikipedia
Lumicitabine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedOtherRespiratory Syncytial Virus (RSV) Infection1
2CompletedTreatmentRespiratory Syncytial Virus (RSV) Infection2
2TerminatedTreatmentRespiratory Syncytial Virus (RSV)2
2WithdrawnTreatmentMetapneumovirus1
1CompletedNot AvailableRespiratory Syncytial Virus (RSV) Infection1

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
PropertyValueSource
Water Solubility0.063 mg/mLALOGPS
logP2.11ALOGPS
logP2.05Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)19.22Chemaxon
pKa (Strongest Basic)3.82Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area120.52 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity98.79 m3·mol-1Chemaxon
Polarizability41.59 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-1014900000-df6435f5084d19f7c294
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01vo-0093000000-5bee7a7175d5d076069e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-07c6-9206500000-1060939ac1c9b9ca65f4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q0-7059000000-e8e945f5911431e6b582
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dl-4619000000-85aa6ca36700043f9c2d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000l-5398000000-fcd1b313428491f7a4d8
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:28 / Updated at February 21, 2021 18:54