NAV

Resatorvid

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

Identification

Generic Name
Resatorvid
DrugBank Accession Number
DB05943
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 361.81
Monoisotopic: 361.0550851
Chemical Formula
C15H17ClFNO4S
Synonyms
  • Resatorvid
External IDs
  • TAK-242
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Pharmacology

Indication

Investigated for use/treatment in sepsis and septicemia.

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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

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Affected organisms
Not Available

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][C@]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. [Article]
ChemSpider
9877978
BindingDB
50155929
ChEMBL
CHEMBL225157
ZINC
ZINC000013982410

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentSepsis1
3TerminatedTreatmentSepsis1
2Not Yet RecruitingTreatmentLiver Failure, Acute on Chronic1

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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-0109000000-224072798cc4d6dd30a9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-a3280bb20fd06befab84
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01p6-0794000000-d934408673ccadc09d21
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-06di-1905000000-4d18025b4002f5853c31
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0920000000-e2c5fd0a0c8be380ae48
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-8925000000-3ac363824a501a6c9d49
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Details1. Cytokine receptor common subunit beta
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
Details2. Cytokine receptor common subunit gamma
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 at November 18, 2007 18:28 / Updated at February 21, 2021 18:51