NAV

KRN-5500

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

Identification

Generic Name
KRN-5500
DrugBank Accession Number
DB15215
Background

KRN-5500 is under investigation in clinical trial NCT00002923 (KRN5500 in Treating Patients With Metastatic Solid Tumors).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 589.694
Monoisotopic: 589.322396753
Chemical Formula
C28H43N7O7
Synonyms
  • 6-[4-Deoxy-4-[(2E,4E)-tetradecadienoylglycyl]amino-L-glycero-B-L-manno-heptopyranosyl]amino-9H-purine
External IDs
  • KRN5500
  • NSC-650426
  • SPK-241
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Integrate drug-drug
interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when KRN-5500 is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when KRN-5500 is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when KRN-5500 is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when KRN-5500 is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when KRN-5500 is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8VH13L5K20
CAS number
151276-95-8
InChI Key
LQIPDFIUPOYMPR-BKYURJJWSA-N
InChI
InChI=1S/C28H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(38)29-14-20(39)34-21-23(40)24(41)28(42-25(21)18(37)15-36)35-27-22-26(31-16-30-22)32-17-33-27/h10-13,16-18,21,23-25,28,36-37,40-41H,2-9,14-15H2,1H3,(H,29,38)(H,34,39)(H2,30,31,32,33,35)/b11-10+,13-12+/t18-,21+,23+,24+,25-,28-/m0/s1
IUPAC Name
(2E,4E)-N-({[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-[(9H-purin-6-yl)amino]oxan-3-yl]carbamoyl}methyl)tetradeca-2,4-dienamide
SMILES
CCCCCCCCC\C=C\C=C\C(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](NC2=C3N=CNC3=NC=N2)O[C@H]1[C@@H](O)CO

References

General References
Not Available
ChemSpider
4944483
ChEMBL
CHEMBL4296683

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentNeuropathic Pain1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific2

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 Solubility0.0886 mg/mLALOGPS
logP1.85ALOGPS
logP0.56Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)9.75Chemaxon
pKa (Strongest Basic)3.78Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count8Chemaxon
Polar Surface Area214.84 Å2Chemaxon
Rotatable Bond Count17Chemaxon
Refractivity157.07 m3·mol-1Chemaxon
Polarizability63.66 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0132090000-975a352200019b589e86
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01w0-0000090000-3bc494a9af19675d6aeb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0553-0096340000-4d82566276a2f790f076
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0059-3196180000-9652fb5f38abef46debf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udu-0833390000-5682172d6f14f3251694
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-6460190000-760cf89a49cdd88451a6
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-269.2630786
predicted
DarkChem Lite v0.1.0
[M+H]+270.2045786
predicted
DarkChem Lite v0.1.0
[M+Na]+269.3807786
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 15:00 / Updated at December 01, 2022 11:29