Detailed information for compound 1832066

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.425 | Formula: C12H18N4O6S2
  • H donors: 0 H acceptors: 4 LogP: 1.43 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nsnc1OCCOCCOCCOc1nsnc1OC
  • InChi: 1S/C12H18N4O6S2/c1-17-9-11(15-23-13-9)21-7-5-19-3-4-20-6-8-22-12-10(18-2)14-24-16-12/h3-8H2,1-2H3
  • InChiKey: YXGBUKFIWOYPQA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 conserved hypothetical protein 0.0061 0.0639 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0314 0.4537 0.4577
Loa Loa (eye worm) hypothetical protein 0.0029 0.0148 0.0148
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0034 0.0238 0.5
Onchocerca volvulus Glutaminyl cyclase homolog 0.038 0.5554 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0333 0.4833 0.4833
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0061 0.0639 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0273 0.3904 0.3904
Loa Loa (eye worm) hypothetical protein 0.0029 0.0148 0.0148
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0664 0.9913 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0061 0.0639 0.0639
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0314 0.4537 0.4577
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0034 0.0238 0.0092
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0333 0.4833 0.4875
Onchocerca volvulus 0.0333 0.4833 0.8665
Echinococcus granulosus carbonic anhydrase 0.0314 0.4537 0.4537
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0639 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0664 0.9913 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0034 0.0238 1
Brugia malayi hypothetical protein 0.004 0.0326 0.0329
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0022 0.0041 0.0041
Brugia malayi exodeoxyribonuclease III family protein 0.0034 0.0238 0.024
Brugia malayi beta-lactamase 0.0029 0.0148 0.0149
Onchocerca volvulus Fxna peptidase homolog 0.0061 0.0639 0.0908
Brugia malayi Animal haem peroxidase family protein 0.004 0.0326 0.0329
Trypanosoma cruzi glutaminyl cyclase, putative 0.0061 0.0639 0.0503
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0061 0.0639 0.2073
Loa Loa (eye worm) hypothetical protein 0.0061 0.0639 0.0639
Echinococcus granulosus peroxidasin 0.004 0.0326 0.0326
Echinococcus multilocularis beta LACTamase domain containing family member 0.0029 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0061 0.0639 0.0639
Schistosoma mansoni Fxna peptidase (M28 family) 0.0061 0.0639 0.0644
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0326 0.0326
Schistosoma mansoni peroxidasin 0.004 0.0326 0.0329
Onchocerca volvulus Peroxidasin homolog 0.004 0.0326 0.0329
Schistosoma mansoni hypothetical protein 0.0314 0.4537 0.4577
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0061 0.0639 0.0639
Echinococcus granulosus carbonic anhydrase 0.0314 0.4537 0.4537
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0326 0.0326
Echinococcus granulosus tyrosine protein kinase Fyn 0.0022 0.0041 0.0041
Plasmodium falciparum carbonic anhydrase 0.0314 0.4537 1
Schistosoma mansoni nicalin (M28 family) 0.0061 0.0639 0.0644
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0022 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Src42A 0.0022 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Loa Loa (eye worm) leucyl aminopeptidase 0.0061 0.0639 0.0639
Schistosoma mansoni carbonic anhydrase 0.0314 0.4537 0.4577
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0314 0.4537 0.4577
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0664 0.9913 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Mycobacterium tuberculosis Conserved protein 0.0061 0.0639 0.2073
Echinococcus multilocularis c src tyrosine kinase 0.0022 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0029 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0314 0.4537 0.4537
Brugia malayi leucyl aminopeptidase 0.0061 0.0639 0.0644
Brugia malayi beta-lactamase family protein 0.0029 0.0148 0.0149
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0061 0.0639 0.0644
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0314 0.4537 0.4577
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0664 0.9913 1
Echinococcus multilocularis carbonic anhydrase 0.0314 0.4537 0.4537
Toxoplasma gondii hypothetical protein 0.0061 0.0639 0.1118
Onchocerca volvulus 0.0333 0.4833 0.8665
Loa Loa (eye worm) hypothetical protein 0.0029 0.0148 0.0148
Leishmania major hypothetical protein, conserved 0.0061 0.0639 0.0503
Echinococcus multilocularis carbonic anhydrase II 0.0664 0.9913 0.9913
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0664 0.9913 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0664 0.9913 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0029 0.0148 0.0149
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Loa Loa (eye worm) carbonic anhydrase 3 0.0664 0.9913 0.9913
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0034 0.0238 0.1839
Brugia malayi Animal haem peroxidase family protein 0.004 0.0326 0.0329
Loa Loa (eye worm) hypothetical protein 0.038 0.5554 0.5554
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0029 0.0148 0.0149
Loa Loa (eye worm) hypothetical protein 0.0314 0.4537 0.4537
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0022 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0158 0.2144 0.2144
Mycobacterium leprae Probable lipase LipE 0.0029 0.0148 0.5
Mycobacterium leprae conserved hypothetical protein 0.0029 0.0148 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0022 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Echinococcus granulosus tyrosine protein kinase Fyn 0.0022 0.0041 0.0041
Schistosoma mansoni tyrosine kinase 0.0022 0.0041 0.0042
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0022 0.0041 0.0042
Brugia malayi Blistered cuticle protein 3 0.004 0.0326 0.0329
Brugia malayi Animal haem peroxidase family protein 0.004 0.0326 0.0329
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0029 0.0148 0.0149
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0061 0.0639 1
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.038 0.5554 0.5554
Loa Loa (eye worm) hypothetical protein 0.0254 0.3613 0.3613
Toxoplasma gondii peptidase, M28 family protein 0.0061 0.0639 0.1118
Schistosoma mansoni peroxidasin 0.004 0.0326 0.0329
Leishmania major carbonic anhydrase-like protein 0.0664 0.9913 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.4537 0.4537
Schistosoma mansoni ap endonuclease 0.0034 0.0238 0.024
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.038 0.5554 0.5554
Loa Loa (eye worm) beta-lactamase 0.0029 0.0148 0.0148
Echinococcus granulosus tyrosine protein kinase Src64B 0.0022 0.0041 0.0041
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0022 0.0041 0.0041
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0326 0.0326
Brugia malayi Animal haem peroxidase family protein 0.004 0.0326 0.0329
Loa Loa (eye worm) hypothetical protein 0.0029 0.0148 0.0148
Trypanosoma brucei carbonic anhydrase-like protein 0.0664 0.9913 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Onchocerca volvulus 0.004 0.0326 0.0329
Brugia malayi Peroxidasin 0.004 0.0326 0.0329
Schistosoma mansoni carbonic anhydrase-related 0.0314 0.4537 0.4577
Onchocerca volvulus Peroxidase homolog 0.004 0.0326 0.0329
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0034 0.0238 0.0092
Trichomonas vaginalis ap endonuclease, putative 0.0034 0.0238 0.1839
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0029 0.0148 0.0148
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0034 0.0238 0.0238
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0061 0.0639 0.0644
Echinococcus granulosus carbonic anhydrase 0.0314 0.4537 0.4537
Echinococcus granulosus muscleblind protein 0.0158 0.2144 0.2144
Onchocerca volvulus 0.0061 0.0639 0.0908
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0061 0.0639 0.0639
Onchocerca volvulus Peroxidasin homolog 0.004 0.0326 0.0329
Schistosoma mansoni tyrosine kinase 0.066 0.9853 0.9939
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0022 0.0041 0.0041
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0022 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0314 0.4537 0.4577
Echinococcus granulosus beta LACTamase domain containing family member 0.0029 0.0148 0.0148
Echinococcus multilocularis carbonic anhydrase 0.0314 0.4537 0.4537
Onchocerca volvulus Chorion peroxidase homolog 0.004 0.0326 0.0329
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Brugia malayi Animal haem peroxidase family protein 0.004 0.0326 0.0329
Brugia malayi Tyrosine-protein kinase abl-1 0.0406 0.5948 0.6001
Onchocerca volvulus Dual oxidase homolog 0.004 0.0326 0.0329
Toxoplasma gondii hypothetical protein 0.0314 0.4537 1
Mycobacterium ulcerans hypothetical protein 0.0061 0.0639 1
Echinococcus granulosus carbonic anhydrase II 0.0664 0.9913 0.9913
Onchocerca volvulus 0.004 0.0326 0.0329
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0022 0.0041 0.0041
Schistosoma mansoni tyrosine kinase 0.0022 0.0041 0.0042
Onchocerca volvulus Fxna peptidase homolog 0.0061 0.0639 0.0908
Trypanosoma cruzi glutaminyl cyclase, putative 0.0061 0.0639 0.0503
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0022 0.0041 0.0041
Onchocerca volvulus Peroxidase homolog 0.004 0.0326 0.0329
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0034 0.0238 0.0092
Schistosoma mansoni tyrosine kinase 0.0022 0.0041 0.0042
Loa Loa (eye worm) hypothetical protein 0.0061 0.0639 0.0639
Loa Loa (eye worm) hypothetical protein 0.0158 0.2144 0.2144
Loa Loa (eye worm) SRC-1 0.0022 0.0041 0.0041
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0022 0.0041 0.0041
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0034 0.0238 0.0381
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0061 0.0639 0.0639
Schistosoma mansoni carbonic anhydrase-related 0.0314 0.4537 0.4577
Loa Loa (eye worm) hypothetical protein 0.0029 0.0148 0.0148
Echinococcus granulosus tyrosine protein kinase Lyn 0.0022 0.0041 0.0041
Toxoplasma gondii exonuclease III APE 0.0034 0.0238 0.0206
Loa Loa (eye worm) animal heme peroxidase 0.004 0.0326 0.0326
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0639 1
Brugia malayi FXNA 0.0061 0.0639 0.0644
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0034 0.0238 0.0092
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0022 0.0041 0.0041
Brugia malayi Muscleblind-like protein 0.0158 0.2144 0.2163
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0034 0.0238 0.5
Trypanosoma brucei glutaminyl cyclase, putative 0.0061 0.0639 0.0503
Brugia malayi SRC-1 0.0022 0.0041 0.0042
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0183 0.2516 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Schistosoma mansoni ap endonuclease 0.0034 0.0238 0.024
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.038 0.5554 0.5603
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0314 0.4537 0.4537
Echinococcus granulosus c src tyrosine kinase 0.0022 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Fyn 0.0022 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Echinococcus multilocularis peroxidasin 0.004 0.0326 0.0326
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0664 0.9913 0.9913
Brugia malayi Peptidase family M28 containing protein 0.038 0.5554 0.5603
Loa Loa (eye worm) blistered cuticle protein 3 0.004 0.0326 0.0326
Schistosoma mansoni tyrosine kinase 0.0022 0.0041 0.0042
Echinococcus multilocularis muscleblind protein 0.0158 0.2144 0.2144
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0034 0.0238 0.0238
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0034 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0326
Treponema pallidum exodeoxyribonuclease (exoA) 0.0034 0.0238 0.5
Echinococcus multilocularis carbonic anhydrase 0.0314 0.4537 0.4537
Brugia malayi nicalin 0.0061 0.0639 0.0644
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0061 0.0639 0.0639
Echinococcus multilocularis muscleblind protein 1 0.0158 0.2144 0.2144
Brugia malayi Tyrosine-protein kinase abl-1 0.0273 0.3904 0.3938
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0022 0.0041 0.0041
Schistosoma mansoni carbonic anhydrase-related 0.0314 0.4537 0.4577
Leishmania major glutaminyl cyclase, putative 0.0061 0.0639 0.0503
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0022 0.0041 0.0041
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0034 0.0238 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0639 0.0639
Brugia malayi beta-lactamase family protein 0.0029 0.0148 0.0149
Trichomonas vaginalis ap endonuclease, putative 0.0034 0.0238 0.1839
Onchocerca volvulus 0.004 0.0326 0.0329
Onchocerca volvulus Fxna peptidase homolog 0.0061 0.0639 0.0908

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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