KRN-7000

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

Identification

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
Not Available
External IDs
KRN7000
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]hexacosanimidic acid
SMILES
[H][[email protected]@](O)(CCCCCCCCCCCCCC)[[email protected]@]([H])(O)[[email protected]]([H])(CO[[email protected]@]1([H])O[[email protected]]([H])(CO)[[email protected]]([H])(O)[[email protected]]([H])(O)[[email protected]@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of KRN-7000.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of KRN-7000.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of KRN-7000.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with KRN-7000.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of KRN-7000.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of KRN-7000.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of KRN-7000.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of KRN-7000.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of KRN-7000.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of KRN-7000.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with KRN-7000.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of KRN-7000.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of KRN-7000.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of KRN-7000.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of KRN-7000.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of KRN-7000.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with KRN-7000.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of KRN-7000.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of KRN-7000.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of KRN-7000.Approved, Investigational
Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1WithdrawnTreatmentLung Cancers / Unspecified Adult Solid Tumor, Protocol Specific1
1, 2Active Not RecruitingTreatmentPrevention of GvHD in Patients With Hematological Malignancies Undergoing AHSCT1
1, 2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection1
1, 2CompletedTreatmentHepatitis B,Chronic1

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 Solubility0.00054 mg/mLALOGPS
logP8.66ALOGPS
logP13.49ChemAxon
logS-6.2ALOGPS
pKa (Strongest Acidic)7.42ChemAxon
pKa (Strongest Basic)2.73ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area172.43 Å2ChemAxon
Rotatable Bond Count44ChemAxon
Refractivity245.12 m3·mol-1ChemAxon
Polarizability110.93 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 November 09, 2017 05:04