NAV

Efatutazone

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

Identification

Generic Name
Efatutazone
DrugBank Accession Number
DB11894
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 502.59
Monoisotopic: 502.167476507
Chemical Formula
C27H26N4O4S
Synonyms
  • Efatutazone
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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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Efatutazone is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Efatutazone is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Efatutazone is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Efatutazone is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Efatutazone is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alkyl aryl ether / Amine / Amino acid or derivatives / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzimidazole / Carbonic acid derivative
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
M17ILL71MC
CAS number
223132-37-4
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

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAnaplastic Thyroid Cancer / Recurrent Thyroid Cancer1
2CompletedTreatmentLiposarcoma1
1TerminatedTreatmentLymphoma / Multiple Myeloma (MM) / 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 Solubility0.00599 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/MSsplash10-0udi-0003190000-773b5e5f99134e2f70f9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dr-1954400000-e85dff4fbe217f1c1a27
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0001920000-0cac75220d35f30b229c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0089-6201910000-ead1e3666198d53f5fe2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0952420000-088cfba1059bdbf44e1f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6x-9621610000-4c3f394b9ba3332cc515
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-216.24152
predicted
DeepCCS 1.0 (2019)
[M+H]+218.63707
predicted
DeepCCS 1.0 (2019)
[M+Na]+224.54958
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:58 / Updated at February 21, 2021 18:53