Efatutazone

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

Identification

Name
Efatutazone
Accession Number
DB11894
Type
Small Molecule
Groups
Investigational
Description

Efatutazone has been used in trials studying the treatment of Lymphoma, Liposarcoma, Solid Tumors, Multiple Myeloma, and Recurrent Thyroid Cancer, among others.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
M17ILL71MC
CAS number
223132-37-4
Weight
Average: 502.59
Monoisotopic: 502.167476507
Chemical Formula
C27H26N4O4S
InChI Key
JCYNMRJCUYVDBC-UHFFFAOYSA-N
InChI
InChI=1S/C27H26N4O4S/c1-15-10-20(11-16(2)25(15)28)35-19-8-9-21-22(13-19)31(3)24(29-21)14-34-18-6-4-17(5-7-18)12-23-26(32)30-27(33)36-23/h4-11,13,23H,12,14,28H2,1-3H3,(H,30,32,33)
IUPAC Name
5-[(4-{[6-(4-amino-3,5-dimethylphenoxy)-1-methyl-1H-1,3-benzodiazol-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILES
CN1C(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)=NC2=CC=C(OC3=CC(C)=C(N)C(C)=C3)C=C12

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 Efatutazone.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Efatutazone.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Efatutazone.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Efatutazone.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Efatutazone.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Efatutazone.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Efatutazone.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Efatutazone.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Efatutazone.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Efatutazone.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Efatutazone.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Efatutazone.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Efatutazone.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Efatutazone.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Efatutazone.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Efatutazone.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Efatutazone.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Efatutazone.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Efatutazone.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9832447
PubChem Substance
347828229
ChemSpider
8008175
ChEMBL
CHEMBL3545280

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentMalignant Lymphomas / Multiple Myeloma (MM) / Tumors, Solid1
2RecruitingTreatmentLiposarcoma1
2SuspendedTreatmentAnaplastic Thyroid Cancers / Recurrent Thyroid Cancer1

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 Solubility0.00599 mg/mLALOGPS
logP4.47ALOGPS
logP4.8ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)7.61ChemAxon
pKa (Strongest Basic)4.86ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area108.47 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity139.89 m3·mol-1ChemAxon
Polarizability54.46 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
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/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 diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Diarylethers
Alternative Parents
Benzimidazoles / Aniline and substituted anilines / m-Xylenes / Phenol ethers / Phenoxy compounds / Alkyl aryl ethers / Thiazolidinediones / N-substituted imidazoles / Heteroaromatic compounds / Dicarboximides
show 9 more
Substituents
Diaryl ether / Benzimidazole / Phenol ether / Aniline or substituted anilines / Phenoxy compound / Xylene / M-xylene / Alkyl aryl ether / Thiazolidinedione / Benzenoid
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:58 / Updated on November 09, 2017 04:58