Detailed information for compound 550232

Basic information

Technical information
  • TDR Targets ID: 550232
  • Name: 1-ethoxy-1-oxo-propane-2-sulfonic acid; potas sium
  • MW: 221.293 | Formula: C5H10KO5S
  • H donors: 1 H acceptors: 4 LogP: -0.2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(S(=O)(=O)O)C.[K]
  • InChi: 1S/C5H10O5S.K/c1-3-10-5(6)4(2)11(7,8)9;/h4H,3H2,1-2H3,(H,7,8,9);
  • InChiKey: AKSHYNCUQPFHEB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-ethoxy-1-oxo-2-propanesulfonic acid; potassium
  • 1-ethoxy-1-keto-propane-2-sulfonic acid; potassium
  • 1-ethoxy-1-oxopropane-2-sulfonic acid; potassium
  • 20449-08-5
  • NSC174655

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Curated by TDR Targets References
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi dihydrofolate reductase family protein Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Loa Loa (eye worm) dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 159 aa 140 aa 37.9 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 165 aa 143 aa 34.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1515 0.1495
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1515 1
Onchocerca volvulus 0.0023 0.0172 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.1515 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.1515 0.0726
Loa Loa (eye worm) dihydrofolate reductase 0.0415 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0172 0.0148
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0415 1 1
Toxoplasma gondii hypothetical protein 0.0026 0.0251 0.0127
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.1515 0.0726
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0172 0.5
Echinococcus multilocularis geminin 0.0165 0.3727 0.3144
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0209 0.0521
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0159 0.3568 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1515 0.3889
Loa Loa (eye worm) hypothetical protein 0.0077 0.1515 0.1495
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1515 0.3889
Loa Loa (eye worm) hypothetical protein 0.0023 0.0172 0.0148
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0159 0.3568 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0172 0.0172
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0172 0.0148
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0209 0.0521
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.0251 0.0081
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1515 0.4208
Echinococcus multilocularis dihydrofolate reductase 0.0415 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.3568 1
Leishmania major hypothetical protein, conserved 0.0025 0.0209 0.0109
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0251 0.0642
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0172 0.0148
Loa Loa (eye worm) hypothetical protein 0.0023 0.0172 0.0148
Schistosoma mansoni dihydrofolate reductase 0.0415 1 1
Chlamydia trachomatis dihydrofolate reductase 0.0415 1 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0415 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0159 0.3568 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.1515 0.1367
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0172 0.0148
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0172 0.0148
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0851 0.0691
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0172 0.0172
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.1515 0.1495
Echinococcus granulosus geminin 0.0165 0.3727 0.3144
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0172 0.0148
Brugia malayi hypothetical protein 0.0025 0.0209 0.0038
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0172 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0251 0.0642
Mycobacterium ulcerans hypothetical protein 0.0023 0.0172 0.0148
Echinococcus granulosus dihydrofolate reductase 0.0415 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1515 0.1495
Schistosoma mansoni hypothetical protein 0.0165 0.3727 0.2607
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0172 0.0148
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.3568 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0209 0.0185
Brugia malayi Probable ClpP-like protease 0.0077 0.1515 0.1367
Schistosoma mansoni hypothetical protein 0.0165 0.3727 0.2607
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0851 0.0851
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0209 0.0521
Loa Loa (eye worm) hypothetical protein 0.0023 0.0172 0.0148
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0024 0.0024
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0851 0.0851
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.1515 0.4208
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.1515 0.1495
Brugia malayi Dihydrofolate reductase 0.0415 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0159 0.3568 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0172 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0415 1 1

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:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium avium 256134  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10579848 10991861 11754594 12467708 12699390 12832132 14998335 15026078 15115391 15214795 15974594 17010625 9554874
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium avium 256134  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10052907 10991861 14998335 7486934 8913480 9835537
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium tuberculosis 256134  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10052907 11597474 12384337
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium avium 5868  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10052907 10991861 14998335 7486934 8913480 9835537
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium avium 5868  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10579848 10991861 11754594 12467708 12699390 12832132 14998335 15026078 15115391 15214795 15974594 17010625 9554874
growth (GO:0040007) decreased (PATO:0000468) inferred from in vitro culture assay (ECO:0000182) Mycobacterium tuberculosis 5868  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10052907 11597474 12384337

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

19 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.