NAV

Sutezolid

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

Identification

Generic Name
Sutezolid
DrugBank Accession Number
DB11905
Background

Sutezolid has been used in trials studying the treatment of Tuberculosis.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 353.41
Monoisotopic: 353.120940853
Chemical Formula
C16H20FN3O3S
Synonyms
  • ACETAMIDE, N-((3-(3-FLUORO-4-(4-THIOMORPHOLINYL)PHENYL)-2-OXO-5-OXAZOLIDINYL)METHYL)-, (S)-
  • N-{[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
  • Sutezolid
External IDs
  • PNU-100480
  • U 100480
  • U-100480
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylthiomorpholines. These are compounds containing a thiomorpholine ring conjugated to a phenyl group. Thiomorpholine a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Thiazinanes
Sub Class
Thiomorpholines
Direct Parent
Phenylthiomorpholines
Alternative Parents
Aniline and substituted anilines / Dialkylarylamines / Fluorobenzenes / Oxazolidinones / Aryl fluorides / Acetamides / Carbamate esters / Secondary carboxylic acid amides / Organic carbonic acids and derivatives / Dialkylthioethers
show 7 more
Substituents
4-phenylthiomorpholine / Acetamide / Amine / Amino acid or derivatives / Aniline or substituted anilines / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid
show 26 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3A71182L8P
CAS number
168828-58-8
InChI Key
FNDDDNOJWPQCBZ-ZDUSSCGKSA-N
InChI
InChI=1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
IUPAC Name
N-{[(5S)-3-[3-fluoro-4-(thiomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(N2CCSCC2)C(F)=C1

References

General References
Not Available
PubChem Compound
465951
PubChem Substance
347828238
ChemSpider
409595
ChEMBL
CHEMBL288149
ZINC
ZINC000003810825
PDBe Ligand
9EN
Wikipedia
Sutezolid
PDB Entries
5nz1

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentOther Specified Pulmonary Tuberculosis / Pulmonary Tuberculosis (TB)1
2CompletedTreatmentTuberculosis (TB)1
2Not Yet RecruitingTreatmentPulmonary Tuberculosis (TB)1
2RecruitingTreatmentPulmonary Tuberculosis (TB)1
2, 3RecruitingTreatmentTuberculosis (TB)1

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 Solubility0.237 mg/mLALOGPS
logP1.31ALOGPS
logP1.22Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)14.85Chemaxon
pKa (Strongest Basic)-0.14Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area61.88 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity90.76 m3·mol-1Chemaxon
Polarizability35.61 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-0udi-0009000000-0ea69abb358164a3118a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0bt9-5179000000-51493f03ba839eb0545a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ik9-0039000000-e6b2453605eabcf2ac7b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-08fu-2095000000-1f6cd66778eb5f859cb1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0kbf-4594000000-a6baac4469ac4b208de1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-6194000000-4c75b31f8cb3f1f11dbe
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-174.9207
predicted
DeepCCS 1.0 (2019)
[M+H]+177.2788
predicted
DeepCCS 1.0 (2019)
[M+Na]+183.76772
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:59 / Updated at July 07, 2023 12:10