Fiacitabine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Fiacitabine
Accession Number
DB12901
Type
Small Molecule
Groups
Investigational
Description

Fiacitabine has been used in trials studying the treatment of HIV Infections and Cytomegalovirus Infections.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
4058H365ZB
CAS number
69123-90-6
Weight
Average: 371.107
Monoisotopic: 370.97783
Chemical Formula
C9H11FIN3O4
InChI Key
GIMSJJHKKXRFGV-BYPJNBLXSA-N
InChI
InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/m1/s1
IUPAC Name
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-5-iodo-1,4-dihydropyrimidin-2-ol
SMILES
[H][[email protected]]1(CO)O[[email protected]@]([H])(N2C=C(I)C(=N)N=C2O)[[email protected]@]([H])(F)[[email protected]]1([H])O

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Fiacitabine.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Fiacitabine.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Fiacitabine.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Fiacitabine.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Fiacitabine.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Fiacitabine.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Fiacitabine.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Fiacitabine.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Fiacitabine.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Fiacitabine.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Fiacitabine.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Fiacitabine.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Fiacitabine.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Fiacitabine.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Fiacitabine.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Fiacitabine.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Fiacitabine.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Fiacitabine.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Fiacitabine.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Fiacitabine.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
50312
PubChem Substance
347829053
ChemSpider
45626
ChEMBL
CHEMBL272557

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Infections, Cytomegalovirus1

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 Solubility0.468 mg/mLALOGPS
logP0.25ALOGPS
logP0.057ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)5.22ChemAxon
pKa (Strongest Basic)0.89ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area109.37 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity77.61 m3·mol-1ChemAxon
Polarizability27.03 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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleosides
Sub Class
Pyrimidine 2'-deoxyribonucleosides
Direct Parent
Pyrimidine 2'-deoxyribonucleosides
Alternative Parents
Pyrimidones / Aminopyrimidines and derivatives / Halopyrimidines / Aryl iodides / Imidolactams / Hydropyrimidines / Tetrahydrofurans / Heteroaromatic compounds / Secondary alcohols / Fluorohydrins
show 10 more
Substituents
Pyrimidine 2'-deoxyribonucleoside / Aminopyrimidine / Halopyrimidine / Pyrimidone / Aryl halide / Aryl iodide / Hydropyrimidine / Imidolactam / Pyrimidine / Heteroaromatic compound
show 24 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:08 / Updated on November 09, 2017 05:14