Detailed information for compound 800003

Basic information

Technical information
  • TDR Targets ID: 800003
  • Name: N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]- 4-nitrobenzenesulfonamide
  • MW: 387.41 | Formula: C18H17N3O5S
  • H donors: 2 H acceptors: 6 LogP: 3.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)nc(c(c2)CCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])O
  • InChi: 1S/C18H17N3O5S/c1-12-2-3-13-11-14(18(22)20-17(13)10-12)8-9-19-27(25,26)16-6-4-15(5-7-16)21(23)24/h2-7,10-11,19H,8-9H2,1H3,(H,20,22)
  • InChiKey: ZRRRERDOPOWPDL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-nitro-benzenesulfonamide
  • N-[2-(2-keto-7-methyl-1H-quinolin-3-yl)ethyl]-4-nitro-benzenesulfonamide

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
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0127 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0127 0.5
Loa Loa (eye worm) hypothetical protein 0.0215 0.8362 0.8362
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0127 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0215 0.8362 0.8362
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0127 0.5
Schistosoma mansoni inositol monophosphatase 0.0039 0.0127 0.0152
Echinococcus multilocularis survival motor neuron protein 1 0.025 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0215 0.8362 0.8362
Echinococcus granulosus carboxylesterase 5A 0.0215 0.8362 0.8362
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0215 0.8362 1
Brugia malayi Carboxylesterase family protein 0.0215 0.8362 0.8362
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0127 1
Brugia malayi Carboxylesterase family protein 0.0215 0.8362 0.8362
Brugia malayi Inositol-1 0.0039 0.0127 0.0127
Echinococcus multilocularis acetylcholinesterase 0.0215 0.8362 0.8362
Onchocerca volvulus 0.0051 0.0686 1
Schistosoma mansoni inositol monophosphatase 0.0039 0.0127 0.0152
Loa Loa (eye worm) hypothetical protein 0.0215 0.8362 0.8362
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0127 0.5
Echinococcus granulosus acetylcholinesterase 0.0215 0.8362 0.8362
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0686 0.0686
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0127 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0036 0 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0127 0.0127
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0127 0.5
Schistosoma mansoni hypothetical protein 0.0051 0.0686 0.0821
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0127 0.0127
Loa Loa (eye worm) inositol-1 0.0039 0.0127 0.0127
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0127 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0036 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0215 0.8362 0.8362
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0127 1
Echinococcus granulosus acetylcholinesterase 0.0215 0.8362 0.8362
Echinococcus granulosus survival motor neuron protein 1 0.025 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0036 0 0.5
Schistosoma mansoni survival motor neuron protein 0.0051 0.0686 0.0821
Loa Loa (eye worm) hypothetical protein 0.025 1 1
Loa Loa (eye worm) carboxylesterase 0.0215 0.8362 0.8362
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0127 0.5

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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