Detailed information for compound 781830

Basic information

Technical information
  • TDR Targets ID: 781830
  • Name: 6-[(2,4-difluorophenyl)sulfamoyl]-N-(3-ethoxy propyl)-4-oxo-1H-quinoline-3-carboxamide
  • MW: 465.47 | Formula: C21H21F2N3O5S
  • H donors: 3 H acceptors: 5 LogP: 2.96 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCCNC(=O)c1cnc2c(c1O)cc(cc2)S(=O)(=O)Nc1ccc(cc1F)F
  • InChi: 1S/C21H21F2N3O5S/c1-2-31-9-3-8-24-21(28)16-12-25-18-7-5-14(11-15(18)20(16)27)32(29,30)26-19-6-4-13(22)10-17(19)23/h4-7,10-12,26H,2-3,8-9H2,1H3,(H,24,28)(H,25,27)
  • InChiKey: DQKOKNMVBZRNSI-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-[(2,4-difluorophenyl)sulfamoyl]-N-(3-ethoxypropyl)-4-keto-1H-quinoline-3-carboxamide

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
Echinococcus multilocularis glutamate receptor NMDA 0.0155 0.0238 0.0238
Echinococcus granulosus nmda type glutamate receptor 0.0169 0.0296 0.0296
Echinococcus granulosus neuroligin 0.0448 0.1386 0.1386
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0448 0.1386 1
Echinococcus multilocularis neuroligin 0.0448 0.1386 0.1386
Echinococcus granulosus para nitrobenzyl esterase 0.0448 0.1386 0.1386
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2654 1 1
Loa Loa (eye worm) carboxylesterase 0.0448 0.1386 0.1191
Loa Loa (eye worm) hypothetical protein 0.0448 0.1386 0.1191
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0448 0.1386 1
Loa Loa (eye worm) carboxylesterase 0.2654 1 1
Onchocerca volvulus 0.0448 0.1386 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0448 0.1386 0.1386
Plasmodium vivax glutathione reductase, putative 0.015 0.0221 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.0187 0.0364 0.0364
Brugia malayi Carboxylesterase family protein 0.0448 0.1386 0.1191
Echinococcus multilocularis nmda type glutamate receptor 0.0169 0.0296 0.0296
Trypanosoma cruzi trypanothione reductase, putative 0.015 0.0221 0.5
Echinococcus granulosus carboxylesterase 5A 0.2654 1 1
Echinococcus multilocularis acetylcholinesterase 0.2654 1 1
Plasmodium vivax thioredoxin reductase, putative 0.015 0.0221 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0448 0.1386 0.1191
Brugia malayi Carboxylesterase family protein 0.0448 0.1386 0.1191
Onchocerca volvulus 0.0448 0.1386 0.5
Onchocerca volvulus 0.0448 0.1386 0.5
Loa Loa (eye worm) hypothetical protein 0.0448 0.1386 0.1191
Echinococcus multilocularis carboxylesterase 5A 0.2654 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0184 0.0352 0.0352
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0448 0.1386 0.1386
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0187 0.0364 0.0364
Loa Loa (eye worm) acetylcholinesterase 1 0.2654 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0448 0.1386 0.1191
Schistosoma mansoni glutamate receptor NMDA 0.0187 0.0364 0.0147
Echinococcus multilocularis BC026374 protein (S09 family) 0.0448 0.1386 0.1386
Loa Loa (eye worm) hypothetical protein 0.0448 0.1386 0.1191
Mycobacterium ulcerans carboxylesterase, LipT 0.0448 0.1386 0.5
Echinococcus multilocularis acetylcholinesterase 0.2654 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0448 0.1386 0.5
Loa Loa (eye worm) hypothetical protein 0.2654 1 1
Loa Loa (eye worm) hypothetical protein 0.0448 0.1386 0.1191
Loa Loa (eye worm) hypothetical protein 0.0448 0.1386 0.1191
Brugia malayi hypothetical protein 0.0448 0.1386 0.1191
Trypanosoma brucei trypanothione reductase 0.015 0.0221 0.5
Loa Loa (eye worm) hypothetical protein 0.0448 0.1386 0.1191
Echinococcus multilocularis thioredoxin glutathione reductase 0.015 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0448 0.1386 0.1191
Brugia malayi Carboxylesterase family protein 0.0448 0.1386 0.1191
Onchocerca volvulus 0.0448 0.1386 0.5
Echinococcus granulosus acetylcholinesterase 0.2654 1 1
Echinococcus multilocularis nmda type glutamate receptor 0.0184 0.0352 0.0352
Schistosoma mansoni neuroligin 3 (S09 family) 0.0448 0.1386 0.1191
Schistosoma mansoni glutamate receptor NMDA 0.0248 0.0604 0.0391
Trichomonas vaginalis spcc417.12 protein, putative 0.0448 0.1386 0.5
Brugia malayi Carboxylesterase family protein 0.0448 0.1386 0.1191
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0448 0.1386 0.1191
Onchocerca volvulus 0.0448 0.1386 0.5
Loa Loa (eye worm) carboxylesterase 0.0448 0.1386 0.1191
Brugia malayi Carboxylesterase family protein 0.2654 1 1
Loa Loa (eye worm) hypothetical protein 0.2654 1 1
Schistosoma mansoni acetylcholinesterase 0.0448 0.1386 0.1191
Leishmania major trypanothione reductase 0.015 0.0221 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0448 0.1386 0.1191
Toxoplasma gondii thioredoxin reductase 0.015 0.0221 0.5
Schistosoma mansoni gliotactin 0.0448 0.1386 0.1191
Plasmodium falciparum glutathione reductase 0.015 0.0221 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0448 0.1386 0.1386
Echinococcus granulosus glutamate receptor NMDA 0.0155 0.0238 0.0238
Echinococcus granulosus thioredoxin glutathione reductase 0.015 0.0221 0.0221
Plasmodium falciparum thioredoxin reductase 0.015 0.0221 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0448 0.1386 1
Echinococcus granulosus acetylcholinesterase 0.2654 1 1
Echinococcus granulosus BC026374 protein S09 family 0.0448 0.1386 0.1386

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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