Detailed information for compound 1582074

Basic information

Technical information
  • TDR Targets ID: 1582074
  • Name: N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-morpholin -4-ylsulfonylbenzamide
  • MW: 416.512 | Formula: C17H24N2O6S2
  • H donors: 0 H acceptors: 5 LogP: 0.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)C1CCS(=O)(=O)C1
  • InChi: 1S/C17H24N2O6S2/c1-2-19(15-7-12-26(21,22)13-15)17(20)14-3-5-16(6-4-14)27(23,24)18-8-10-25-11-9-18/h3-6,15H,2,7-13H2,1H3
  • InChiKey: DFGFSHVOOXDVAB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-morpholinosulfonyl-benzamide
  • N-(1,1-dioxo-3-thiolanyl)-N-ethyl-4-morpholinosulfonylbenzamide
  • N-(1,1-diketothiolan-3-yl)-N-ethyl-4-morpholinosulfonyl-benzamide
  • N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-morpholin-4-ylsulfonyl-benzamide
  • T5480697

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.1287 0.1242 0.5081
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0004
Brugia malayi hypothetical protein 0.003 0.0016 0.0014
Schistosoma mansoni hypothetical protein 0.0205 0.0186 0.1499
Schistosoma mansoni tar DNA-binding protein 0.0196 0.0178 0.143
Loa Loa (eye worm) hypothetical protein 0.003 0.0016 0.0014
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0016 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0016 0.0027
Leishmania major carnitine/choline acetyltransferase, putative 0.1287 0.1242 0.239
Trypanosoma cruzi hypothetical protein, conserved 0.1287 0.1242 0.239
Brugia malayi Choline O-acetyltransferase 0.1287 0.1242 0.124
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0004
Leishmania major carnitine palmitoyltransferase-like protein 0.2518 0.2442 0.4704
Brugia malayi N-terminal motif family protein 0.0183 0.0166 0.0163
Onchocerca volvulus 0.1287 0.1242 1
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.5335 0.5189 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0004
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.2518 0.2442 0.4706
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.0107 0.0105
Loa Loa (eye worm) hypothetical protein 0.0182 0.0165 0.0163
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.0166 0.0008
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1287 0.1242 0.239
Brugia malayi TAR-binding protein 0.0196 0.0178 0.0175
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.0107 0.0105
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.2518 0.2442 0.244
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0016 1
Loa Loa (eye worm) choline O-acetyltransferase 0.1287 0.1242 0.124
Brugia malayi RNA binding protein 0.0196 0.0178 0.0175
Brugia malayi Choline O-acetyltransferase 0.1287 0.1242 0.124
Schistosoma mansoni hypothetical protein 0.0205 0.0186 0.1499
Schistosoma mansoni tar DNA-binding protein 0.0196 0.0178 0.143
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.1287 0.1242 0.124
Loa Loa (eye worm) hypothetical protein 1.027 1 1
Schistosoma mansoni tar DNA-binding protein 0.0196 0.0178 0.143
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0002 0.5
Brugia malayi MH2 domain containing protein 0.0123 0.0107 0.0105
Trypanosoma cruzi hypothetical protein, conserved 0.1287 0.1242 0.239
Onchocerca volvulus 0.1287 0.1242 1
Brugia malayi hypothetical protein 0.002 0.0006 0.0004
Echinococcus granulosus choline O acetyltransferase 0.1287 0.1242 0.2393
Trypanosoma brucei hypothetical protein, conserved 0.1287 0.1242 0.5081
Onchocerca volvulus 0.1287 0.1242 1
Loa Loa (eye worm) hypothetical protein 0.1287 0.1242 0.124
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0016 0.0058
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.1287 0.1242 0.239
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0002 0.0004
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0196 0.0178 0.0175
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.2518 0.2442 1
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.1287 0.1242 0.5081
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0002 0.0004
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.1287 0.1242 0.124
Echinococcus multilocularis tar DNA binding protein 0.0196 0.0178 0.0342
Schistosoma mansoni choline o-acyltransferase 0.1287 0.1242 1
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.2518 0.2442 0.4704
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.1287 0.1242 0.239
Echinococcus granulosus tar DNA binding protein 0.0196 0.0178 0.0342
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0002 0.0017
Echinococcus multilocularis choline O acetyltransferase 0.1287 0.1242 0.2393
Loa Loa (eye worm) TAR-binding protein 0.0196 0.0178 0.0175
Leishmania major hypothetical protein, conserved 0.003 0.0016 0.0027
Schistosoma mansoni tar DNA-binding protein 0.0196 0.0178 0.143
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.5335 0.5189 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.2518 0.2442 0.4706
Brugia malayi RNA recognition motif domain containing protein 0.0196 0.0178 0.0175
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.5335 0.5189 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.0166 0.0163
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0016 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.2518 0.2442 0.244
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.1287 0.1242 0.239
Loa Loa (eye worm) RNA binding protein 0.0196 0.0178 0.0175
Trypanosoma cruzi hypothetical protein, conserved 0.1287 0.1242 0.239
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.1287 0.1242 0.5081
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.5335 0.5189 1
Trypanosoma cruzi hypothetical protein, conserved 0.1287 0.1242 0.239
Echinococcus granulosus geminin 0.0205 0.0186 0.0359
Brugia malayi hypothetical protein 0.0182 0.0165 0.0163
Trypanosoma cruzi hypothetical protein, conserved 0.1287 0.1242 0.239
Schistosoma mansoni tar DNA-binding protein 0.0196 0.0178 0.143
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0016 0.0027
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0002 0.0004
Onchocerca volvulus 0.1287 0.1242 1
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.1287 0.1242 0.239
Schistosoma mansoni choline o-acyltransferase 0.1287 0.1242 1
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.5335 0.5189 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0016 1
Echinococcus multilocularis geminin 0.0205 0.0186 0.0359

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

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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