Detailed information for compound 1166148

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.254 | Formula: C10H16N2O10P2S
  • H donors: 6 H acceptors: 8 LogP: -4.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S
  • InChi: 1S/C10H16N2O10P2S/c13-6-1-2-12(10(25)11-6)9-8(15)7(14)5(22-9)3-21-24(19,20)4-23(16,17)18/h1-2,5,7-9,14-15H,3-4H2,(H,19,20)(H,11,13,25)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
  • InChiKey: VAZIBAQQXATRMK-ZOQUXTDFSA-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
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0404 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Echinococcus granulosus sodium:myo inositol cotransporter 0.0041 0.0721 0.0706
Brugia malayi hypothetical protein 0.0039 0.0666 0.0784
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.014 0.2835 0.2824
Schistosoma mansoni hypothetical protein 0.0476 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.014 0.2835 0.2824
Brugia malayi CXXC zinc finger family protein 0.0033 0.0552 0.0637
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0041 0.0721 0.4023
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0404 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.0666 0.5
Echinococcus granulosus cpg binding protein 0.0035 0.0593 0.0578
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Schistosoma mansoni inositol transporter 0.0041 0.0721 0.0706
Loa Loa (eye worm) TAR-binding protein 0.014 0.2835 0.3569
Schistosoma mansoni hypothetical protein 0.0039 0.0666 0.0652
Loa Loa (eye worm) hypothetical protein 0.0375 0.7837 1
Brugia malayi Sodium:solute symporter family protein 0.0041 0.0721 0.0854
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0092 0.0077
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0666 0.0652
Entamoeba histolytica hypothetical protein 0.0039 0.0666 0.5
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0041 0.0721 0.0706
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0092 0.0077
Brugia malayi hypothetical protein 0.0017 0.0204 0.019
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0404 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.014 0.2835 0.2824
Loa Loa (eye worm) hypothetical protein 0.0041 0.0721 0.085
Schistosoma mansoni cpg binding protein 0.0035 0.0593 0.0578
Leishmania major hypothetical protein, conserved 0.0027 0.0404 0.5
Schistosoma mansoni cpg binding protein 0.0033 0.0552 0.0537
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0404 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0666 0.0652
Echinococcus granulosus sodium:glucose cotransporter 2 0.0041 0.0721 0.0706
Echinococcus multilocularis tar DNA binding protein 0.014 0.2835 0.2824
Echinococcus granulosus high affinity choline transporter 1 0.0375 0.7837 0.7833
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0041 0.0721 0.0706
Brugia malayi TAR-binding protein 0.014 0.2835 0.3571
Schistosoma mansoni inositol transporter 0.0041 0.0721 0.0706
Entamoeba histolytica hypothetical protein 0.0039 0.0666 0.5
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0041 0.0721 0.0706
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0041 0.0721 0.0706
Schistosoma mansoni sodium/solute symporter 0.0041 0.0721 0.0706
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0404 0.5
Trichomonas vaginalis helicase, putative 0.0008 0 0.5
Brugia malayi hypothetical protein 0.0027 0.0404 0.0447
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0059 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0059 0.0044
Schistosoma mansoni tar DNA-binding protein 0.014 0.2835 0.2824
Echinococcus multilocularis high affinity choline transporter 1 0.0375 0.7837 0.7833
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.119 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.0666 0.5
Brugia malayi RNA recognition motif domain containing protein 0.014 0.2835 0.3571
Loa Loa (eye worm) RNA binding protein 0.014 0.2835 0.3569
Brugia malayi RNA binding protein 0.014 0.2835 0.3571
Echinococcus multilocularis dnaJ subfamily B 0.0476 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0404 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0 0.5
Brugia malayi GH02984p 0.0375 0.7837 1
Schistosoma mansoni cpg binding protein 0.0035 0.0593 0.0578
Echinococcus multilocularis cpg binding protein 0.0035 0.0593 0.0578
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0552 0.0634
Echinococcus granulosus solute carrier family 5 0.0041 0.0721 0.0706
Echinococcus granulosus sodium:glucose cotransporter 0.0041 0.0721 0.0706
Loa Loa (eye worm) hypothetical protein 0.0027 0.0404 0.0444
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.1352 0.1338
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Schistosoma mansoni high-affinity choline transporter 0.0375 0.7837 0.7833
Echinococcus multilocularis solute carrier family 5 0.0041 0.0721 0.0706
Schistosoma mansoni tar DNA-binding protein 0.014 0.2835 0.2824
Echinococcus granulosus tar DNA binding protein 0.014 0.2835 0.2824
Onchocerca volvulus 0.0041 0.0721 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0666 0.0652
Schistosoma mansoni hypothetical protein 0.0012 0.0092 0.0077
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.014 0.2835 0.3569

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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