Detailed information for compound 1826915

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.258 | Formula: C14H15Cl2N3O4S
  • H donors: 2 H acceptors: 4 LogP: 2.23 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccc(c(c1)Cl)Cl)NCCS(=O)(=O)Nc1noc(c1)C
  • InChi: 1S/C14H15Cl2N3O4S/c1-9-6-13(18-23-9)19-24(21,22)5-4-17-14(20)8-10-2-3-11(15)12(16)7-10/h2-3,6-7H,4-5,8H2,1H3,(H,17,20)(H,18,19)
  • InChiKey: TZSMCCAKJZATDX-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758

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
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0487 0.1672 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0156 0 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0276 0.0603 0.3607
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0156 0 0.5
Schistosoma mansoni protein tyrosine phosphatase 0.0276 0.0603 0.3607
Loa Loa (eye worm) hypothetical protein 0.2016 0.9397 1
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0156 0 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0276 0.0603 0.3607
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0156 0 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0487 0.1672 0.1672
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0276 0.0603 0.3607
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0276 0.0603 0.3607
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0276 0.0603 0.3607
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0156 0 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0276 0.0603 0.3607
Leishmania major tyrosine specific protein phosphatase, putative 0.0156 0 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0487 0.1672 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0276 0.0603 0.0642
Loa Loa (eye worm) hypothetical protein 0.186 0.8608 0.916
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0276 0.0603 0.3607
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0156 0 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0276 0.0603 0.3607
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0276 0.0603 0.3607
Giardia lamblia Protein tyrosine phosphatase 0.0156 0 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0276 0.0603 0.3607
Onchocerca volvulus 0.1979 0.9211 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0276 0.0603 0.3607
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0276 0.0603 0.3607
Trypanosoma brucei protein tyrosine phosphatase 1 0.0156 0 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0487 0.1672 1
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0156 0 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0276 0.0603 0.3607
Loa Loa (eye worm) hypothetical protein 0.186 0.8608 0.916
Loa Loa (eye worm) hypothetical protein 0.186 0.8608 0.916
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0276 0.0603 0.3607
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0276 0.0603 0.3607
Trichomonas vaginalis pten, drome, putative 0.0156 0 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0487 0.1672 0.1779

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16.3 uM Inhibition of Trypanosoma cruzi PFK ChEMBL. 24900769
IC50 (binding) = 32.6 uM Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay ChEMBL. 24900769
Inhibition (binding) > 80 % Inhibition of Trypanosoma cruzi PFK at 57 uM ChEMBL. 24900769
Inhibition (binding) > 80 % Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate at 57 uM by luciferase based luminescence assay ChEMBL. 24900769

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

1 literature reference was collected for this gene.

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