7-[4-[[4-[(5s)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-phosphonooxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CED0086977)

Record Information
Version1.0
Creation Date2026-08-22 10:34:29 UTC
Update Date2026-08-22 10:34:29 UTC
SynCED IDCED0086977
Secondary Accession Numbers
  • CHEM213526
Identification
Common Name7-[4-[[4-[(5s)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-phosphonooxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
ClassSmall Molecule
Description
7-[4-[[4-[(5s)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-phosphonooxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid belongs to the quinoline carboxylic acids, a subclass of quinolines and derivatives within the organic compounds. It has the formula C31H33F2N4O11P. With an average molecular weight of 706.60 g/mol, 7-[4-[[4-[(5s)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-phosphonooxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC31H33F2N4O11P
Average Molecular Mass706.600 g/mol
Monoisotopic Mass706.185 g/mol
CAS Registry Number790704-50-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C31H33F2N4O11P/c1-17(38)34-13-20-14-37(30(42)47-20)19-4-5-27(24(33)10-19)46-16-31(48-49(43,44)45)6-8-35(9-7-31)26-12-25-21(11-23(26)32)28(39)22(29(40)41)15-36(25)18-2-3-18/h4-5,10-12,15,18,20H,2-3,6-9,13-14,16H2,1H3,(H,34,38)(H,40,41)(H2,43,44,45)/t20-/m0/s1
InChI KeyMNABRWLVTSGIMU-FQEVSTJZSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
6912.0 Log mg/kg [3900:12000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementNot Available
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementNot Available
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureDNA topoisomerase 4 subunit AP0C1U9Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.435
Statistical Significance
2.90e-04
Supporting Reference Compounds
9
E-value
2.25763
Calmodulin-like protein 3 structureClick to view 3D structureCalmodulin-like protein 3P27482HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.347
Statistical Significance
2.30e-04
Supporting Reference Compounds
2
E-value
1.79053
Isocitrate lyase structureClick to view 3D structureIsocitrate lyaseP9WKK7Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.303
Statistical Significance
1.80e-04
Supporting Reference Compounds
1
E-value
1.40129
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.347
Statistical Significance
0.0264
Supporting Reference Compounds
425
E-value
205.211
Glycoprotein G structureClick to view 3D structureGlycoprotein GQ9IH62Henipavirus nipahensePredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.277 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
13.6236
DNA gyrase subunit A structureClick to view 3D structureDNA gyrase subunit AP9WG47Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.327
Statistical Significance
2.50e-04
Supporting Reference Compounds
3
E-value
1.94623
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.435
Statistical Significance
0.3893
Supporting Reference Compounds
1538
E-value
3030.59
Click to view 3D structureHistamine H3 receptorQ9QYN8Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.435
Statistical Significance
0.0408
Supporting Reference Compounds
80
E-value
317.313
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.327
Statistical Significance
0.4716
Supporting Reference Compounds
727
E-value
3671.21
Serine/threonine-protein kinase D3 structureClick to view 3D structureSerine/threonine-protein kinase D3O94806HumansPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.327
Statistical Significance
0.4437
Supporting Reference Compounds
628
E-value
3453.94
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.327
Statistical Significance
0.4707
Supporting Reference Compounds
742
E-value
3664.75
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.347
Statistical Significance
0.1659
Supporting Reference Compounds
241
E-value
1291.91
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.435
Statistical Significance
0.2615
Supporting Reference Compounds
407
E-value
2035.91
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.435
Statistical Significance
0.313
Supporting Reference Compounds
472
E-value
2436.84
Bromodomain-containing protein 4 structureClick to view 3D structureBromodomain-containing protein 4O60885HumansPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.333
Statistical Significance
0.3015
Supporting Reference Compounds
237
E-value
2346.92
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.261 Low confidence
Statistical Significance
0.756
Supporting Reference Compounds
1660
E-value
5885.17
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.261 Low confidence
Statistical Significance
0.6899
Supporting Reference Compounds
934
E-value
5370.97
Fibroblast growth factor receptor 1 structureClick to view 3D structureFibroblast growth factor receptor 1P11362HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.261 Low confidence
Statistical Significance
0.7032
Supporting Reference Compounds
1010
E-value
5474.05
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.248 Low confidence
Statistical Significance
0.8263
Supporting Reference Compounds
1130
E-value
6432.84
Vascular endothelial growth factor receptor 3 structureClick to view 3D structureVascular endothelial growth factor receptor 3P35916HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.261 Low confidence
Statistical Significance
0.6526
Supporting Reference Compounds
687
E-value
5080.44
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.261 Low confidence
Statistical Significance
0.6904
Supporting Reference Compounds
763
E-value
5374.63
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.261 Low confidence
Statistical Significance
0.7039
Supporting Reference Compounds
797
E-value
5480.04
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.261 Low confidence
Statistical Significance
0.7329
Supporting Reference Compounds
1029
E-value
5705.41
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.261 Low confidence
Statistical Significance
0.7298
Supporting Reference Compounds
834
E-value
5681.67
Insulin receptor structureClick to view 3D structureInsulin receptorP06213HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.261 Low confidence
Statistical Significance
0.7266
Supporting Reference Compounds
772
E-value
5656.21
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available