Zoliflodacin
PubChem CID
76685216
Structure
Molecular Formula
Synonyms
- Zoliflodacin
- 1620458-09-4
- AZD0914
- AZD-0914
- Zoliflodacin [USAN]
Molecular Weight
487.4 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2014-08-04
- Modify:2025-01-11
Description
Zoliflodacin has been used in trials studying the basic science and treatment of Gonorrhoea.
ZOLIFLODACIN is a small molecule drug with a maximum clinical trial phase of III and has 1 investigational indication.
Chemical Structure Depiction
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
ZSWMIFNWDQEXDT-ZESJGQACSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C[C@@H]1CN2[C@H]([C@@H](O1)C)C3(CC4=CC5=C(C(=C42)F)ON=C5N6[C@H](COC6=O)C)C(=O)NC(=O)NC3=O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C22H22FN5O7
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- (2R,4S,4AS)-11-fluoro-2,4-dimethyl-8-((4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,4a-tetrahydro-2'H,6H-spiro((1,2)-oxazolo(4,5-g)(1,4)oxazino(4,3-a)quinoline-5,5'-pyrimidine)-2',4',6'(1'H,3'H)-trione
- AZD-0914
- AZD0914
- ETX-0914
- ETX0914
- zoliflodacin
- Zoliflodacin
- 1620458-09-4
- AZD0914
- AZD-0914
- Zoliflodacin [USAN]
- ETX0914
- ETX-0914
- FWL2263R77
- (2R,4S,4AS)-11-Fluoro-2,4-dimethyl-8-((4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl)-1,2,4,4a-tetrahydro-2'H,6H-spiro((1,2)-oxazolo(4,5-g)(1,4)oxazino(4,3-a)quinoline-5,5'-pyrimidine)-2',4',6'(1'H,3'H)-trione
- (4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
- UNII-FWL2263R77
- (2R,4S,4aS)-11-Fluoro-1,2,4,4a-tetrahydro-2,4-dimethyl-8-[(4S)-4-methyl-2-oxo-3-oxazolidinyl]spiro[isoxazolo[4,5-g][1,4]oxazino[4,3-a]quinoline-5(6H),5'(2'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione; AZD 0914; ETX 0914
- Zoliflodacin(AZD0914)
- Zoliflodacin (USAN/INN)
- ZOLIFLODACIN [INN]
- Zoliflodacin(AZD0914)?
- ZOLIFLODACIN [WHO-DD]
- AZD 0914 - Bio-X
- CHEMBL3544978
- SCHEMBL15879500
- C22H22FN5O7
- GTPL10875
- EXT0914
- BDBM139376
- DTXSID101028418
- AZD 0914
- EX-A2620
- EXT-0914
- ETX0914; AZD0914; Zoliflodacin
- DB12817
- AC-35757
- BA164192
- HY-17647
- MS-29053
- CS-0016917
- NS00073429
- D11726
- US8889671, 5
- Q27278240
- (2R,4S,4AS)-11-fluoro-2,4-dimethyl-8-((S)-4-methyl-2-oxooxazolidin-3-yl)-2,4,4a,6-tetrahydro-1H,1'H-spiro[isoxazolo[4,5-g][1,4]oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
- R8U
- SPIRO(ISOXAZOLO(4,5-G)(1,4)OXAZINO(4,3-A)QUINOLINE-5(6H),5'(2'H)-PYRIMIDINE)-2',4',6'(1'H,3'H)-TRIONE, 11-FLUORO-1,2,4,4A-TETRAHYDRO-2,4-DIMETHYL-8-((4S)-4-METHYL-2-OXO-3-OXAZOLIDINYL)-, (2R,4S,4AS)-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
487.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
1.3
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
487.15032622 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
487.15032622 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
143 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
35
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
962
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
4
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
Paediatric drug
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Treatment of gonococcal infection
Type
Paediatric investigation
Active Substance
Therapeutic Area
Infectious diseases
Drug Form
Granules for oral suspension
Administration Route
Oral use
Decision Type
PM: decision on the application for modification of an agreed PIP
Decision Date
2022-09-09
Topoisomerase II Inhibitors
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II. (See all compounds classified as Topoisomerase II Inhibitors.)
Human Drugs -> EU pediatric investigation plans
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=ZSWMIFNWDQEXDT-ZESJGQACSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/(2R,4S,4aS)-11-Fluoro-1,2,4,4a-tetrahydro-2,4-dimethyl-8-[(4S)-4-methyl-2-oxo-3-oxazolidinyl]spiro[isoxazolo[4,5-g][1,4]oxazino[4,3-a]quinoline-5(6H),5′(2′H)-pyrimidine]-2′,4′,6′(1′H,3′H)-trionehttps://commonchemistry.cas.org/detail?cas_rn=1620458-09-4
- ChemIDplusZoliflodacin [USAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=1620458094ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_useZoliflodacinhttps://www.drugbank.ca/drugs/DB12817
- EPA DSSToxCompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ClinicalTrials.govLICENSEThe ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
- Drug Gene Interaction database (DGIdb)LICENSEThe data used in DGIdb is all open access and where possible made available as raw data dumps in the downloads section.http://www.dgidb.org/downloadsZOLIFLODACINhttps://www.dgidb.org/drugs/ncit:C152962
- IUPHAR/BPS Guide to PHARMACOLOGYLICENSEThe Guide to PHARMACOLOGY database is licensed under the Open Data Commons Open Database License (ODbL) https://opendatacommons.org/licenses/odbl/. Its contents are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License (http://creativecommons.org/licenses/by-sa/4.0/)https://www.guidetopharmacology.org/about.jsp#licenseGuide to Pharmacology Target Classificationhttps://www.guidetopharmacology.org/targets.jsp
- Open TargetsLICENSEDatasets generated by the Open Targets Platform are freely available for download.https://platform-docs.opentargets.org/licence
- EU Clinical Trials Register
- European Medicines Agency (EMA)LICENSEInformation on the European Medicines Agency's (EMA) website is subject to a disclaimer and copyright and limited reproduction notices.https://www.ema.europa.eu/en/about-us/legal-noticeZoliflodacin (P/0381/2022)https://www.ema.europa.eu/en/medicines/human/paediatric-investigation-plans/emea-002599-pip01-19-m01
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- Metabolomics Workbench
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/17'-fluoro-4',6'-dimethyl-13'-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-5',15'-dioxa-2',14'-diazaspiro[1,5-diazinane-3,8'-tetracyclo[8.7.0.0²,?.0¹²,¹?]heptadecane]-1'(17'),10',12'(16'),13'-tetraene-2,4,6-trioneNORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Therapeutic Target Database (TTD)
- Protein Data Bank in Europe (PDBe)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidatazoliflodacinhttps://www.wikidata.org/wiki/Q27278240
- WikipediaZoliflodacinhttps://en.wikipedia.org/wiki/Zoliflodacin
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlzoliflodacinhttps://www.ncbi.nlm.nih.gov/mesh/2007376Topoisomerase II Inhibitorshttps://www.ncbi.nlm.nih.gov/mesh/68059005
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 393971721https://pubchem.ncbi.nlm.nih.gov/substance/393971721
- NCBI
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