Detailed information for compound 825483

Basic information

Technical information
  • TDR Targets ID: 825483
  • Name: 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxo quinolin-1-yl]-N-(3-methylphenyl)acetamide
  • MW: 480.508 | Formula: C25H21FN2O5S
  • H donors: 1 H acceptors: 4 LogP: 4.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(=O)c(cn2CC(=O)Nc1cccc(c1)C)S(=O)(=O)c1ccc(cc1)F
  • InChi: 1S/C25H21FN2O5S/c1-16-4-3-5-18(12-16)27-24(29)15-28-14-23(34(31,32)20-9-6-17(26)7-10-20)25(30)21-13-19(33-2)8-11-22(21)28/h3-14H,15H2,1-2H3,(H,27,29)
  • InChiKey: GWPBJVQANOTPCQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxo-1-quinolyl]-N-(3-methylphenyl)acetamide
  • 2-[3-(4-fluorophenyl)sulfonyl-4-keto-6-methoxy-1-quinolyl]-N-(3-methylphenyl)acetamide
  • 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxo-quinolin-1-yl]-N-(3-methylphenyl)ethanamide

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
Trichomonas vaginalis AGC family protein kinase 0.0384 0.3362 0.0111
Loa Loa (eye worm) AGC/PKN protein kinase 0.0384 0.3362 0.3353
Entamoeba histolytica protein kinase, putative 0.1121 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0745 0.6614 1
Echinococcus multilocularis nervana 2 0.0737 0.6539 0.9887
Echinococcus multilocularis Glutaredoxin protein 5 0.0737 0.6539 0.9887
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0384 0.3362 0.5083
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0384 0.3362 0.5083
Leishmania major cytochrome p450-like protein 0.0012 0.0013 1
Echinococcus granulosus Glutaredoxin protein 5 0.0737 0.6539 0.9887
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0384 0.3362 0.3353
Trypanosoma cruzi Protein kinase B 0.0745 0.6614 1
Trichomonas vaginalis AGC family protein kinase 0.1121 1 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0384 0.3362 0.5083
Trichomonas vaginalis AGC family protein kinase 0.1121 1 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0384 0.3362 0.5083
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0013 0.0019
Trichomonas vaginalis AGC family protein kinase 0.0384 0.3362 0.0111
Brugia malayi Hr1 repeat family protein 0.0384 0.3362 0.3353
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0013 0.0019
Echinococcus multilocularis serine:threonine protein kinase 38 0.0384 0.3362 0.5083
Entamoeba histolytica protein kinase, putative 0.1121 1 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0384 0.3362 0.3353
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0745 0.6614 1
Echinococcus granulosus protein kinase C gamma type 0.0384 0.3362 0.5083
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0737 0.6539 0.9887
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0384 0.3362 0.5083
Entamoeba histolytica PH domain containing protein kinase, putative 0.0745 0.6614 0.6614
Echinococcus granulosus serine/threonine protein kinase 0.0745 0.6614 1
Entamoeba histolytica protein kinase, putative 0.1121 1 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0384 0.3362 0.3353
Echinococcus granulosus protein kinase c epsilon type 0.0384 0.3362 0.5083
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0384 0.3362 0.3353
Trichomonas vaginalis AGC family protein kinase 0.1121 1 1
Echinococcus granulosus NDR protein kinase 0.0384 0.3362 0.5083
Trichomonas vaginalis AGC family protein kinase 0.0384 0.3362 0.0111
Echinococcus multilocularis serine threonine protein kinase 0.0384 0.3362 0.5083
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0745 0.6614 1
Brugia malayi Protein kinase domain containing protein 0.1121 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0745 0.6614 1
Giardia lamblia Kinase, AGC PKA 0.0745 0.6614 0.5
Trichomonas vaginalis AGC family protein kinase 0.1121 1 1
Echinococcus multilocularis protein kinase c epsilon type 0.0384 0.3362 0.5083
Echinococcus granulosus Protein kinase C brain isozyme 0.0384 0.3362 0.5083
Entamoeba histolytica protein kinase 2, putative 0.0745 0.6614 0.6614
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0384 0.3362 0.5083
Trichomonas vaginalis AGC family protein kinase 0.1121 1 1
Brugia malayi Protein kinase domain containing protein 0.0384 0.3362 0.3353
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0384 0.3362 0.5083
Echinococcus multilocularis rac serine:threonine kinase 0.0745 0.6614 1
Trichomonas vaginalis AGC family protein kinase 0.1121 1 1
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0013 0.0013
Entamoeba histolytica protein kinase, putative 0.0384 0.3362 0.3362
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0384 0.3362 0.5083
Trichomonas vaginalis AGC family protein kinase 0.0384 0.3362 0.0111
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0384 0.3362 0.5083
Schistosoma mansoni serine/threonine-protein kinase 0.0745 0.6614 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0745 0.6614 0.5
Brugia malayi protein kinase C II. 0.0384 0.3362 0.3353
Trichomonas vaginalis AGC family protein kinase 0.1121 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0745 0.6614 0.6614
Echinococcus multilocularis protein kinase c iota type 0.0384 0.3362 0.5083
Brugia malayi Protein kinase domain containing protein 0.0384 0.3362 0.3353
Echinococcus granulosus serine threonine protein kinase nrc 0.0745 0.6614 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0384 0.3362 0.5083
Echinococcus granulosus nervana 2 0.0737 0.6539 0.9887
Loa Loa (eye worm) AGC/AKT protein kinase 0.1121 1 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0745 0.6614 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0384 0.3362 0.3353
Echinococcus granulosus protein kinase c iota type 0.0384 0.3362 0.5083
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0737 0.6539 0.9887
Toxoplasma gondii AGC kinase 0.1121 1 0.5
Echinococcus granulosus nervana 2 0.0737 0.6539 0.9887
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0745 0.6614 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0013 0.5
Trypanosoma brucei rac serine-threonine kinase, putative 0.1121 1 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.1121 1 1
Echinococcus multilocularis nervana 2 0.0737 0.6539 0.9887
Loa Loa (eye worm) hypothetical protein 0.0384 0.3362 0.3353

Activities

No activities found for this compound.

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

No literature references available for this target.

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