Sutezolid
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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
- 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
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 465951
- PubChem Substance
- 347828238
- ChemSpider
- 409595
- ChEMBL
- CHEMBL288149
- ZINC
- ZINC000003810825
- PDBe Ligand
- 9EN
- Wikipedia
- Sutezolid
- PDB Entries
- 5nz1
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Other Specified Pulmonary Tuberculosis / Pulmonary Tuberculosis (TB) 1 2 Completed Treatment Tuberculosis (TB) 1 2 Not Yet Recruiting Treatment Pulmonary Tuberculosis (TB) 1 2 Recruiting Treatment Pulmonary Tuberculosis (TB) 1 2, 3 Recruiting Treatment Tuberculosis (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
Property Value Source Water Solubility 0.237 mg/mL ALOGPS logP 1.31 ALOGPS logP 1.22 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 14.85 Chemaxon pKa (Strongest Basic) -0.14 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 61.88 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 90.76 m3·mol-1 Chemaxon Polarizability 35.61 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0009000000-0ea69abb358164a3118a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0bt9-5179000000-51493f03ba839eb0545a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0ik9-0039000000-e6b2453605eabcf2ac7b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-08fu-2095000000-1f6cd66778eb5f859cb1 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0kbf-4594000000-a6baac4469ac4b208de1 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-6194000000-4c75b31f8cb3f1f11dbe Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 174.9207 predictedDeepCCS 1.0 (2019) [M+H]+ 177.2788 predictedDeepCCS 1.0 (2019) [M+Na]+ 183.76772 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:59 / Updated at July 07, 2023 12:10