Detailed information for compound 1132197

Basic information

Technical information
  • TDR Targets ID: 1132197
  • Name: ethyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfo nylamino]acetate
  • MW: 340.352 | Formula: C14H16N2O6S
  • H donors: 1 H acceptors: 5 LogP: 0.29 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CNS(=O)(=O)CCN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C14H16N2O6S/c1-2-22-12(17)9-15-23(20,21)8-7-16-13(18)10-5-3-4-6-11(10)14(16)19/h3-6,15H,2,7-9H2,1H3
  • InChiKey: IYWKZVXOTYVKHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfonylamino]acetate
  • 2-[2-(1,3-dioxo-2-isoindolinyl)ethylsulfonylamino]acetic acid ethyl ester
  • 2-[2-(1,3-diketoisoindolin-2-yl)ethylsulfonylamino]acetic acid ethyl ester
  • ethyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]ethanoate
  • 7478-86-6
  • SMR000103812
  • NSC401549
  • CBMicro_027982
  • BAS 01968462
  • [2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethanesulfonylamino]-acetic acid ethyl
  • ZINC01594200
  • MLS000107848
  • BIM-0028084.P001

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
Loa Loa (eye worm) fli-1 protein 0.0224 0.438 0.6665
Brugia malayi Ets-domain containing protein 0.0074 0.074 0.1173
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0681 0.0986
Loa Loa (eye worm) hypothetical protein 0.0071 0.0681 0.0986
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0308 0.6409 1
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0291 0.6013 0.9308
Echinococcus multilocularis GA binding protein alpha chain 0.0074 0.074 0.1076
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0291 0.6013 0.9171
Schistosoma mansoni gabp alpha 0.0074 0.074 0.1076
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0291 0.6013 1
Brugia malayi Aspartyl aminopeptidase 0.0291 0.6013 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0235 0.0302
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0291 0.6013 0.9382
Trichomonas vaginalis hypothetical protein 0.0137 0.2261 0.2964
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0291 0.6013 1
Toxoplasma gondii ABC1 family protein 0.0071 0.0681 1
Echinococcus granulosus GA binding protein alpha chain 0.0074 0.074 0.1076
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0235 0.0302
Brugia malayi Fli-1 protein 0.0224 0.438 0.7268
Loa Loa (eye worm) hypothetical protein 0.0071 0.0681 0.0986
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0681 0.0986
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0137 0.2261 0.2964
Loa Loa (eye worm) hypothetical protein 0.0063 0.048 0.0678
Mycobacterium ulcerans hypothetical protein 0.0162 0.288 1
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0291 0.6013 0.9382
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 0.6553 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.2481 0.3871
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.2261 0.2964
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.6409 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0146 0.2481 0.3871
Loa Loa (eye worm) hypothetical protein 0.0071 0.0681 0.0986
Loa Loa (eye worm) hypothetical protein 0.0291 0.6013 0.9171
Echinococcus multilocularis aspartyl aminopeptidase 0.0291 0.6013 0.9171
Brugia malayi Ets-domain containing protein 0.0074 0.074 0.1173
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0291 0.6013 0.5
Loa Loa (eye worm) hypothetical protein 0.0291 0.6013 0.9171
Echinococcus granulosus snurportin 1 0.0314 0.6553 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0681 0.0986
Schistosoma mansoni hypothetical protein 0.0314 0.6553 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0681 0.0986
Leishmania major mitochondrial DNA polymerase beta 0.0308 0.6409 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0681 0.0986
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0291 0.6013 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0229 0.0358
Loa Loa (eye worm) hypothetical protein 0.0071 0.0681 0.0986
Mycobacterium tuberculosis Conserved hypothetical protein 0.0162 0.288 0.236
Schistosoma mansoni ets-related 0.0224 0.438 0.6665
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0235 0.0329
Brugia malayi beta-lactamase family protein 0.0071 0.0681 0.1075
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0291 0.6013 0.9382
Loa Loa (eye worm) aspartyl aminopeptidase 0.0291 0.6013 0.9171
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.2261 0.2964
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0681 0.1062
Onchocerca volvulus 0.0071 0.0681 0.5
Brugia malayi beta-lactamase family protein 0.0071 0.0681 0.1075
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0291 0.6013 0.5722
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.2481 0.3143
Echinococcus multilocularis snurportin 1 0.0314 0.6553 1
Onchocerca volvulus 0.0071 0.0681 0.5
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0291 0.6013 0.9382
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0137 0.2261 0.2964
Entamoeba histolytica aminopeptidase, putative 0.0291 0.6013 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0235 0.0329
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0291 0.6013 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0681 0.0986
Brugia malayi beta-lactamase 0.0071 0.0681 0.1075
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0137 0.2261 0.2964
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0681 0.1062
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0291 0.6013 1
Brugia malayi RNA, U transporter 1 0.0084 0.0976 0.1569
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0291 0.6013 1
Echinococcus granulosus aspartyl aminopeptidase 0.0291 0.6013 0.9171
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0681 0.1075
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0074 0.074 0.1076
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0681 0.1062
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0291 0.6013 0.9171
Trichomonas vaginalis conserved hypothetical protein 0.0137 0.2261 0.2964
Loa Loa (eye worm) beta-lactamase 0.0071 0.0681 0.0986
Onchocerca volvulus 0.0071 0.0681 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0681 0.0986
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0308 0.6409 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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