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

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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