KRN-7000

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
KRN-7000
Accession Number
DB12232
Type
Small Molecule
Groups
Investigational
Description

KRN7000 has been used in trials studying the treatment of Lung Cancer, Chronic Hepatitis C, Hepatitis B, Chronic, Unspecified Adult Solid Tumor, Protocol Specific, and Prevention of GvHD in Patients With Hematological Malignancies Undergoing AHSCT.

Structure
Thumb
Synonyms
  • 1-O-(α-D-galactopyranosyl)-N-hexacosanoylphytosphingosine
External IDs
AGL-582 / KRN 7000 / KRN7000 / RGI-2001
Categories
UNII
WX671898JF
CAS number
158021-47-7
Weight
Average: 858.3224
Monoisotopic: 857.731983771
Chemical Formula
C50H99NO9
InChI Key
VQFKFAKEUMHBLV-BYSUZVQFSA-N
InChI
InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1
IUPAC Name
N-[(2S,3S,4R)-3,4-dihydroxy-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadecan-2-yl]hexacosanamide
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

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
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 KRN-7000.
ErythropoietinThe risk or severity of Thrombosis can be increased when Erythropoietin is combined with KRN-7000.
Methoxy polyethylene glycol-epoetin betaThe risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with KRN-7000.
PeginesatideThe risk or severity of Thrombosis can be increased when Peginesatide is combined with KRN-7000.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
2826713
PubChem Substance
347828511
ChemSpider
2104816
ChEBI
466659
ChEMBL
CHEMBL384200
ZINC
ZINC000087496076
HET
AGH
PDB Entries
1zt4 / 2po6 / 3he6 / 3he7 / 3huj / 3to4 / 4en3 / 6bnk

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentPlasma Cell Myeloma1
1WithdrawnTreatmentLung Cancers / Unspecified Adult Solid Tumor, Protocol Specific1
1, 2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection1
1, 2CompletedTreatmentGraft Versus Host Disease (GVHD) / Prevention of GvHD in Patients With Hematological Malignancies Undergoing AHSCT1
1, 2CompletedTreatmentHepatitis B Chronic Infection1
2RecruitingPreventionAcute-graft-versus-host Disease / Graft Versus Host Disease (GVHD) / Prevention of aGVHD1

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 Solubility0.000358 mg/mLALOGPS
logP8.69ALOGPS
logP12.67ChemAxon
logS-6.4ALOGPS
pKa (Strongest Acidic)12.16ChemAxon
pKa (Strongest Basic)-1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area168.94 Å2ChemAxon
Rotatable Bond Count44ChemAxon
Refractivity244.6 m3·mol-1ChemAxon
Polarizability110.19 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as glycosphingolipids. These are sphingolipids containing a saccharide moiety glycosidically attached to the sphingoid base. Although saccharide moieties are mostly O-glycosidically linked to the ceramide moiety, other sphingolipids with glycosidic bonds of other types (e.g. S-,C-, or N-type) has been reported.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Sphingolipids
Sub Class
Glycosphingolipids
Direct Parent
Glycosphingolipids
Alternative Parents
Fatty acyl glycosides of mono- and disaccharides / Alkyl glycosides / Hexoses / O-glycosyl compounds / N-acyl amines / Oxanes / Secondary alcohols / Secondary carboxylic acid amides / Polyols / Acetals
show 7 more
Substituents
Glycosphingolipid / Fatty acyl glycoside / Fatty acyl glycoside of mono- or disaccharide / Alkyl glycoside / Hexose monosaccharide / Glycosyl compound / O-glycosyl compound / Fatty amide / Fatty acyl / Monosaccharide
show 21 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
glycophytoceramide (CHEBI:466659)

Drug created on October 20, 2016 15:41 / Updated on February 06, 2020 13:20