Resatorvid

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

Identification

Name
Resatorvid
Accession Number
DB05943
Description

Resatorvid is an investigational compound designed for the treatment of severe sepsis.

Type
Small Molecule
Groups
Investigational
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Structure
Thumb
Weight
Average: 361.81
Monoisotopic: 361.0550851
Chemical Formula
C15H17ClFNO4S
Synonyms
Not Available
External IDs
  • TAK-242

Pharmacology

Indication

Investigated for use/treatment in sepsis and septicemia.

Contraindications & Blackbox Warnings
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Pharmacodynamics
Not Available
Mechanism of action

TAK-242 suppresses production of inflammatory mediators such as cytokine by inhibiting the signal transduction through Toll-like receptor 4 (TLR4) which is one of the receptors recognizing the bacterial components.

TargetActionsOrganism
UCytokine receptor common subunit betaNot AvailableHumans
UCytokine receptor common subunit gammaNot AvailableHumans
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
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified

Chemical Identifiers

UNII
H2MZ648C31
CAS number
243984-11-4
InChI Key
LEEIJTHMHDMWLJ-CQSZACIVSA-N
InChI
InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1
IUPAC Name
ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohex-1-ene-1-carboxylate
SMILES
[H][[email protected]]1(CCCC=C1C(=O)OCC)S(=O)(=O)NC1=C(Cl)C=C(F)C=C1

References

General References
  1. Ii M, Matsunaga N, Hazeki K, Nakamura K, Takashima K, Seya T, Hazeki O, Kitazaki T, Iizawa Y: A novel cyclohexene derivative, ethyl (6R)-6-[N-(2-Chloro-4-fluorophenyl)sulfamoyl]cyclohex-1-ene-1-carboxylate (TAK-242), selectively inhibits toll-like receptor 4-mediated cytokine production through suppression of intracellular signaling. Mol Pharmacol. 2006 Apr;69(4):1288-95. Epub 2005 Dec 22. [PubMed:16373689]
ChemSpider
9877978
BindingDB
50155929
ChEMBL
CHEMBL225157
ZINC
ZINC000013982410

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentSepsis1
3TerminatedTreatmentSepsis1
2Not Yet RecruitingTreatmentAcute on Chronic Liver Failure / Acute-On-Chronic Liver Failure1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0192 mg/mLALOGPS
logP3.45ALOGPS
logP3.16ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)8.8ChemAxon
pKa (Strongest Basic)-6.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area72.47 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity85.5 m3·mol-1ChemAxon
Polarizability33.37 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Receptor activity
Specific Function
High affinity receptor for interleukin-3, interleukin-5 and granulocyte-macrophage colony-stimulating factor.
Gene Name
CSF2RB
Uniprot ID
P32927
Uniprot Name
Cytokine receptor common subunit beta
Molecular Weight
97334.89 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Interleukin-2 binding
Specific Function
Common subunit for the receptors for a variety of interleukins.
Gene Name
IL2RG
Uniprot ID
P31785
Uniprot Name
Cytokine receptor common subunit gamma
Molecular Weight
42286.68 Da

Drug created on November 18, 2007 11:28 / Updated on June 12, 2020 10:52

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