Detailed information for compound 1707441

Basic information

Technical information
  • TDR Targets ID: 1707441
  • Name: N,N-diethyl-2-[3-(2-morpholin-4-yl-2-oxoethyl )sulfonylindol-1-yl]acetamide
  • MW: 421.51 | Formula: C20H27N3O5S
  • H donors: 0 H acceptors: 4 LogP: 0.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)N1CCOCC1)CC
  • InChi: 1S/C20H27N3O5S/c1-3-21(4-2)19(24)14-23-13-18(16-7-5-6-8-17(16)23)29(26,27)15-20(25)22-9-11-28-12-10-22/h5-8,13H,3-4,9-12,14-15H2,1-2H3
  • InChiKey: MWCGTPUSLKSKGR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-diethyl-2-[3-(2-morpholino-2-oxo-ethyl)sulfonylindol-1-yl]acetamide
  • N,N-diethyl-2-[3-(2-morpholino-2-oxoethyl)sulfonyl-1-indolyl]acetamide
  • N,N-diethyl-2-[3-(2-keto-2-morpholino-ethyl)sulfonylindol-1-yl]acetamide
  • N,N-diethyl-2-[3-(2-morpholin-4-yl-2-oxo-ethyl)sulfonylindol-1-yl]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
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0003 0.5
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0745 0.1631 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0745 0.1631 0.1629
Schistosoma mansoni BC026374 protein (S09 family) 0.0745 0.1631 0.1629
Brugia malayi Pre-SET motif family protein 0.0223 0.044 0.0437
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0018 0.0015
Echinococcus multilocularis muscleblind protein 1 0.016 0.0296 0.0293
Brugia malayi hypothetical protein 0.0745 0.1631 0.1629
Echinococcus granulosus neuroligin 0.0745 0.1631 0.1631
Entamoeba histolytica hypothetical protein 0.0039 0.0018 0.5
Plasmodium vivax SET domain protein, putative 0.0032 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.0745 0.1631 0.1629
Echinococcus granulosus acetylcholinesterase 0.4407 1 1
Brugia malayi Fli-1 protein 0.0265 0.0536 0.0534
Schistosoma mansoni hypothetical protein 0.0039 0.0018 0.0015
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.4407 1 1
Loa Loa (eye worm) carboxylesterase 0.4407 1 1
Echinococcus multilocularis carboxylesterase 5A 0.4407 1 1
Echinococcus multilocularis muscleblind protein 0.016 0.0296 0.0293
Echinococcus granulosus BC026374 protein S09 family 0.0745 0.1631 0.1631
Onchocerca volvulus 0.0745 0.1631 1
Entamoeba histolytica hypothetical protein 0.0039 0.0018 0.5
Brugia malayi Carboxylesterase family protein 0.0745 0.1631 0.1629
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0018 0.0015
Brugia malayi Carboxylesterase family protein 0.4407 1 1
Brugia malayi Carboxylesterase family protein 0.0745 0.1631 0.1629
Echinococcus granulosus para nitrobenzyl esterase 0.0745 0.1631 0.1631
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0003 0.0003
Onchocerca volvulus 0.0745 0.1631 1
Brugia malayi Muscleblind-like protein 0.016 0.0296 0.0293
Brugia malayi Ets-domain containing protein 0.0087 0.0129 0.0127
Loa Loa (eye worm) acetylcholinesterase 1 0.4407 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0745 0.1631 0.1629
Onchocerca volvulus 0.0745 0.1631 1
Echinococcus multilocularis neuroligin 0.0745 0.1631 0.1629
Loa Loa (eye worm) hypothetical protein 0.0745 0.1631 0.1629
Loa Loa (eye worm) hypothetical protein 0.0745 0.1631 0.1629
Schistosoma mansoni acetylcholinesterase 0.0745 0.1631 0.1629
Loa Loa (eye worm) hypothetical protein 0.4407 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0036 0.0033
Loa Loa (eye worm) fli-1 protein 0.0265 0.0536 0.0534
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0018 0.0018
Schistosoma mansoni ets-related 0.0265 0.0536 0.0534
Trichomonas vaginalis spcc417.12 protein, putative 0.0745 0.1631 1
Loa Loa (eye worm) carboxylesterase 0.0745 0.1631 0.1629
Schistosoma mansoni gliotactin 0.0745 0.1631 0.1629
Brugia malayi Ets-domain containing protein 0.0087 0.0129 0.0127
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.0129 0.0127
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0745 0.1631 0.5
Echinococcus granulosus carboxylesterase 5A 0.4407 1 1
Onchocerca volvulus 0.0254 0.051 0.3118
Loa Loa (eye worm) hypothetical protein 0.016 0.0296 0.0293
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0745 0.1631 0.1629
Schistosoma mansoni gabp alpha 0.0087 0.0129 0.0127
Echinococcus granulosus acetylcholinesterase 0.4407 1 1
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.0129 0.0127
Loa Loa (eye worm) hypothetical protein 0.0745 0.1631 0.1629
Mycobacterium ulcerans carboxylesterase, LipT 0.0745 0.1631 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0036 0.0036
Onchocerca volvulus 0.0745 0.1631 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0745 0.1631 0.1629
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0036 0.0033
Loa Loa (eye worm) hypothetical protein 0.0075 0.01 0.0098
Loa Loa (eye worm) carboxylesterase 0.0745 0.1631 0.1629
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0036 0.0033
Echinococcus multilocularis acetylcholinesterase 0.4407 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0036 0.0033
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0036 0.0033
Loa Loa (eye worm) hypothetical protein 0.4407 1 1
Onchocerca volvulus 0.0745 0.1631 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0036 0.0033
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.044 0.0437
Loa Loa (eye worm) hypothetical protein 0.0745 0.1631 0.1629
Echinococcus multilocularis BC026374 protein (S09 family) 0.0745 0.1631 0.1629
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0036 0.0033
Loa Loa (eye worm) hypothetical protein 0.016 0.0296 0.0293
Loa Loa (eye worm) hypothetical protein 0.0745 0.1631 0.1629
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0745 0.1631 0.1629
Echinococcus granulosus muscleblind protein 0.016 0.0296 0.0296
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0745 0.1631 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0745 0.1631 0.1629
Entamoeba histolytica hypothetical protein 0.0039 0.0018 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0745 0.1631 0.1631
Loa Loa (eye worm) hypothetical protein 0.0745 0.1631 0.1629
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2167 0.2165
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.0129 0.0129
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0036 0.0036
Mycobacterium tuberculosis Carboxylesterase LipT 0.0745 0.1631 0.5
Brugia malayi hypothetical protein 0.0039 0.0018 0.0015
Echinococcus multilocularis acetylcholinesterase 0.4407 1 1
Brugia malayi Carboxylesterase family protein 0.0745 0.1631 0.1629
Brugia malayi Carboxylesterase family protein 0.0745 0.1631 0.1629
Entamoeba histolytica hypothetical protein 0.0039 0.0018 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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