Detailed information for compound 311659

Basic information

Technical information
  • TDR Targets ID: 311659
  • Name: 7-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxaz olidin-3-yl]-2-fluorophenyl]-1-cyclopropyl-6- fluoro-4-oxoquinoline-3-carboxylic acid
  • MW: 497.448 | Formula: C25H21F2N3O6
  • H donors: 2 H acceptors: 5 LogP: 3.28 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1
  • InChi: 1S/C25H21F2N3O6/c1-12(31)28-9-15-10-30(25(35)36-15)14-4-5-16(20(26)6-14)17-8-22-18(7-21(17)27)23(32)19(24(33)34)11-29(22)13-2-3-13/h4-8,11,13,15H,2-3,9-10H2,1H3,(H,28,31)(H,33,34)/t15-/m0/s1
  • InChiKey: MKANDICJBVWDOV-HNNXBMFYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[4-[(5S)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 7-[4-[(5S)-5-(acetamidomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
  • 7-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-phenyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
  • 7-[4-[(5S)-5-(acetamidomethyl)-2-keto-oxazolidin-3-yl]-2-fluoro-phenyl]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0173 0.3287 0.3287
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0045 0.0045
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.1196 0.1196
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.1632 0.3864
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0138 0.0138
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.1551 0.1551
Plasmodium vivax SET domain protein, putative 0.003 0 0.5
Schistosoma mansoni hypothetical protein 0.0067 0.0842 0.0842
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.1196 0.1196
Brugia malayi bZIP transcription factor family protein 0.0082 0.1196 0.283
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0051 0.0483 0.0483
Brugia malayi Pre-SET motif family protein 0.0209 0.4121 0.9754
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0465 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.1958 0.1958
Echinococcus granulosus GPCR family 2 0.0032 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.008 0.1144 0.1144
Schistosoma mansoni hypothetical protein 0.0032 0.0045 0.0045
Schistosoma mansoni jumonji domain containing protein 0.0078 0.109 0.109
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0032 0.0045 0.0045
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.1551 0.1551
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.617 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0898 0.0898
Giardia lamblia Fructose-bisphosphate aldolase 0.0299 0.617 0.5
Brugia malayi hypothetical protein 0.0064 0.0791 0.1872
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.1632 0.3864
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.617 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0045 0.0045
Brugia malayi jmjC domain containing protein 0.0036 0.0138 0.0327
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0045 0.0045
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0146 0.2661 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0146 0.2661 0.5
Schistosoma mansoni lipoxygenase 0.0081 0.1161 0.1161
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.1632 0.1632
Treponema pallidum fructose-bisphosphate aldolase 0.0299 0.617 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.4121 0.4121
Brugia malayi jmjC domain containing protein 0.0098 0.1551 0.3672
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.617 1
Schistosoma mansoni hypothetical protein 0.0069 0.0898 0.0898
Schistosoma mansoni lipoxygenase 0.0115 0.1958 0.1958
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0138 0.0138
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0723 0.0723
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0138 0.0138
Onchocerca volvulus 0.0238 0.4785 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.617 1
Echinococcus multilocularis jun protein 0.0082 0.1196 0.1196
Echinococcus granulosus geminin 0.0173 0.3287 0.3287
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.617 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0465 1 1
Schistosoma mansoni hypothetical protein 0.0032 0.0045 0.0045
Schistosoma mansoni hypothetical protein 0.0032 0.0045 0.0045
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0045 0.0106
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0262 0.0262
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0045 0.0045
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0138 0.0138
Echinococcus granulosus jun protein 0.0082 0.1196 0.1196
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.617 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.1958 0.1958
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.617 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0045 0.0106
Schistosoma mansoni hypothetical protein 0.0173 0.3287 0.3287
Brugia malayi Cytochrome P450 family protein 0.0048 0.0405 0.0959
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0146 0.2661 0.5
Echinococcus multilocularis geminin 0.0173 0.3287 0.3287
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0405 0.0405
Onchocerca volvulus 0.0064 0.0791 0.1652
Schistosoma mansoni hypothetical protein 0.0032 0.0045 0.0045
Schistosoma mansoni jun-related protein 0.0067 0.0842 0.0842
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.617 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0138 0.0138
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0465 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 0.617 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 0.617 0.5
Echinococcus multilocularis GPCR, family 2 0.0032 0.0045 0.0045
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0898 0.2125
Loa Loa (eye worm) hypothetical protein 0.0101 0.1632 0.1632
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0 0.5
Brugia malayi hypothetical protein 0.0214 0.4225 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.25 g ml-1 Antibacterial activity against Haemophilusinfluenzae (HI1008) ChEMBL. 14623004
MIC (functional) = 0.5 g ml-1 Antibacterial activity against Staphylococcus aureus (SA1011) ChEMBL. 14623004
MIC (functional) = 1 g ml-1 Antibacterial activity against linezolid-resistant Staphylococcus aureus (SA1012 LinR) ChEMBL. 14623004
MIC (functional) = 2 g ml-1 Antibacterial activity against Moraxella catarrhalis (MC1002) ChEMBL. 14623004
MIC (functional) = 2 g ml-1 Antibacterial activity against Escherichia coli (EC1008 ) ChEMBL. 14623004
MIC (functional) = 2 g ml-1 Antibacterial activity against Escherichia coli (EC1008 ) ChEMBL. 14623004
MIC (functional) = 4 g ml-1 Antibacterial activity against ciprofloxin resistant Staphylococcus aureus (SA1009 CipR) ChEMBL. 14623004

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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