NAV

Fostroxacitabine bralpamide

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

Identification

Generic Name
Fostroxacitabine bralpamide
DrugBank Accession Number
DB18090
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 589.38
Monoisotopic: 588.098464
Chemical Formula
C22H30BrN4O8P
Synonyms
  • Troxacitabine nucleotide prodrug miv-818
External IDs
  • MIV-818
  • MIV818
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Fostroxacitabine bralpamide hydrochlorideUT9O7QSO742416950-25-7Not applicable

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Q1I6YZ0NGF
CAS number
2129993-56-0
InChI Key
JBYKMODFCUCTGY-LLSQRQBFSA-N
InChI
InChI=1S/C22H30BrN4O8P/c1-4-5-14(2)33-21(28)15(3)26-36(30,35-17-8-6-16(23)7-9-17)32-13-20-31-12-19(34-20)27-11-10-18(24)25-22(27)29/h6-11,14-15,19-20H,4-5,12-13H2,1-3H3,(H,26,30)(H2,24,25,29)/t14-,15-,19-,20-,36+/m0/s1
IUPAC Name
(2S)-pentan-2-yl (2S)-2-{[(S)-{[(2S,4S)-4-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy}(4-bromophenoxy)phosphoryl]amino}propanoate
SMILES
CCC[C@H](C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1OC[C@H](O1)N1C=CC(N)=NC1=O)OC1=CC=C(Br)C=C1

References

General References
Not Available
ChEMBL
CHEMBL4594349

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2Active Not RecruitingTreatmentHepatic Metastases / Hepatocellular Carcinoma / Intrahepatic Cholangiocarcinoma1

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
logP2.95Chemaxon
pKa (Strongest Acidic)10.24Chemaxon
pKa (Strongest Basic)3.44Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area151.01 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity131.56 m3·mol-1Chemaxon
Polarizability52.71 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 11, 2023 16:58 / Updated at September 28, 2023 05:48