NUC-1031

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

Identification

Name
NUC-1031
Accession Number
DB15057
Description

NUC-1031 is under investigation in clinical trial NCT03610100 (Acelarin First Line Randomised Pancreatic Study).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 580.482
Monoisotopic: 580.153457169
Chemical Formula
C25H27F2N4O8P
Synonyms
  • ACELARIN
  • Fosgemcitabine palabenamide, p(rs)-
External IDs
  • NUC-1031

Pharmacology

Indication
Not Available
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
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.
DrugInteraction
Darbepoetin alfaThe risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with NUC-1031.
ErythropoietinThe risk or severity of Thrombosis can be increased when Erythropoietin is combined with NUC-1031.
Methoxy polyethylene glycol-epoetin betaThe risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with NUC-1031.
PeginesatideThe risk or severity of Thrombosis can be increased when Peginesatide is combined with NUC-1031.
Additional Data Available
  • Extended Description
    Extended Description

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  • Severity
    Severity

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  • Evidence Level
    Evidence Level

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  • Action
    Action

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Food Interactions
Not Available

Products

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alpha amino acid esters / Alanine and derivatives / Benzyloxycarbonyls / Phosphoric diester monoamides / Phenoxy compounds / Pyrimidones / Aminopyrimidines and derivatives / Hydropyrimidines / Organic phosphoramides / Imidolactams
show 14 more
Substituents
Alanine or derivatives / Alcohol / Alkyl fluoride / Alkyl halide / Alpha-amino acid ester / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteromonocyclic compound
show 34 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
XCL1K2T28K
CAS number
840506-29-8
InChI Key
NHTKGYOMICWFQZ-KKQYNPQSSA-N
InChI
InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21+,23+,40?/m0/s1
IUPAC Name
benzyl (2S)-2-[({[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy}(phenoxy)phosphoryl)amino]propanoate
SMILES
C[C@H](NP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O)OC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1

References

General References
Not Available
ChemSpider
9344265
ChEMBL
CHEMBL3126004

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentBiliary Tract Cancer1
2TerminatedTreatmentOvarian Cancer1
2, 3SuspendedTreatmentNeoplasms, Pancreatic / Pancreatic Acinar Carcinoma1
1CompletedTreatmentAmpullary Cancer / Biliary Tract Cancer / Cancer of the Gallbladder / Cholangiocarcinomas1
1CompletedTreatmentMalignancies1
1CompletedTreatmentRecurrent Ovarian Cancer1

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 Solubility0.0664 mg/mLALOGPS
logP2.43ALOGPS
logP2.01ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)10.22ChemAxon
pKa (Strongest Basic)3.64ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area162.01 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity134.78 m3·mol-1ChemAxon
Polarizability53.24 Å3ChemAxon
Number of Rings4ChemAxon
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

Drug created on May 20, 2019 08:45 / Updated on June 12, 2020 10:53

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