NUC-1031

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

Identification

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Name
NUC-1031
Accession Number
DB15057
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
  • ACELARIN
  • Fosgemcitabine palabenamide, p(rs)-
External IDs
NUC-1031
Categories
UNII
XCL1K2T28K
CAS number
840506-29-8
Weight
Average: 580.482
Monoisotopic: 580.153457169
Chemical Formula
C25H27F2N4O8P
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

Pharmacology

Indication
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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
9344265
ChEMBL
CHEMBL3126004

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentAmpullary Cancer / Biliary Tract Cancer / Cholangiocarcinomas / Gallbladder Cancer1
1CompletedTreatmentMalignancies1
2RecruitingTreatmentCancer of the Ovary1
2, 3RecruitingTreatmentNeoplasms, Pancreatic / Pancreatic Acinar Carcinoma1

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

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:45 / Updated on May 21, 2019 12:34