NAV

LY-2334737

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

Identification

Generic Name
LY-2334737
DrugBank Accession Number
DB12906
Background

LY2334737 has been used in trials studying the treatment of Solid Tumor, Metastatic Tumor, and Malignant Solid Tumor.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 389.4
Monoisotopic: 389.176227243
Chemical Formula
C17H25F2N3O5
Synonyms
Not Available
External IDs
  • LY2334737
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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

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
N-arylamides / Pyrimidones / Fatty amides / Hydropyrimidines / Imidolactams / Heteroaromatic compounds / Oxolanes / Secondary alcohols / Fluorohydrins / Secondary carboxylic acid amides
show 8 more
Substituents
Alcohol / Alkyl fluoride / Alkyl halide / Aromatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Fatty acyl / Fatty amide
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
YLR364XYSA
CAS number
892128-60-8
InChI Key
MEOYFIHNRBNEPI-UXIGCNINSA-N
InChI
InChI=1S/C17H25F2N3O5/c1-3-5-10(6-4-2)14(25)20-12-7-8-22(16(26)21-12)15-17(18,19)13(24)11(9-23)27-15/h7-8,10-11,13,15,23-24H,3-6,9H2,1-2H3,(H,20,21,25,26)/t11-,13-,15-/m1/s1
IUPAC Name
N-{1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}-2-propylpentanamide
SMILES
CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F

References

General References
Not Available
PubChem Compound
11646777
PubChem Substance
347829058
ChemSpider
9821516
ChEMBL
CHEMBL577711
ZINC
ZINC000035996916

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC)1
1CompletedTreatmentMalignant Solid Neoplasms / Metastatic Tumors / Solid Tumors1

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 Solubility0.549 mg/mLALOGPS
logP2.56ALOGPS
logP1.49Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)11.12Chemaxon
pKa (Strongest Basic)-2.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area111.46 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity90.3 m3·mol-1Chemaxon
Polarizability38.3 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/MSsplash10-000l-2895000000-ce3f29bcf4e4b3ac8aae
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0297000000-789f74e3321e492b66ff
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0007-0931000000-0744523e9671266f746b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-090a-4893000000-31c9d273fcf8f8f42898
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052p-3921000000-1b608ad780220b6f678d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-4893000000-01fecb1cb028b959a9c1
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-193.8737
predicted
DeepCCS 1.0 (2019)
[M+H]+196.26926
predicted
DeepCCS 1.0 (2019)
[M+Na]+203.13484
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:10 / Updated at June 12, 2020 16:53