Fluorocyclopentenylcytosine

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

Identification

Name
Fluorocyclopentenylcytosine
Accession Number
DB16168
Description

Fluorocyclopentenylcytosine is under investigation in clinical trial NCT03189914 (RX-3117 in Combination With Abraxane® in Subjects With Metastatic Pancreatic Cancer).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 257.221
Monoisotopic: 257.081184041
Chemical Formula
C10H12FN3O4
Synonyms
  • Fluorocyclopentenylcytosine
  • Roducitabine
External IDs
  • RX-3117
  • TV-1360

Pharmacology

Pharmacology
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Indication
Not Available
Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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Toxicity
Not Available
Affected organisms
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

Chemical Identifiers

UNII
0Z4A82I0JO
CAS number
865838-26-2
InChI Key
QLLGKCJUPWYJON-HLTSFMKQSA-N
InChI
InChI=1S/C10H12FN3O4/c11-6-4(3-15)8(16)9(17)7(6)14-2-1-5(12)13-10(14)18/h1-2,7-9,15-17H,3H2,(H2,12,13,18)/t7-,8-,9+/m1/s1
IUPAC Name
4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,2-dihydropyrimidin-2-one
SMILES
NC1=NC(=O)N(C=C1)[C@H]1[C@H](O)[C@H](O)C(CO)=C1F

References

General References
Not Available
ChemSpider
9417352
ChEBI
147412
ChEMBL
CHEMBL2064455
ZINC
ZINC000084651969

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentMetastatic Bladder Cancer / Tumors, Solid1
1, 2CompletedTreatmentPancreatic Cancer Metastatic1

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 Solubility3.41 mg/mLALOGPS
logP-1.6ALOGPS
logP-3.1ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)13.04ChemAxon
pKa (Strongest Basic)4.16ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area119.38 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity58.97 m3·mol-1ChemAxon
Polarizability23.05 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on December 15, 2020 18:14 / Updated on December 20, 2020 03:38