Detailed information for compound 1066736

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.255 | Formula: C11H11N2O4PS
  • H donors: 3 H acceptors: 4 LogP: 0.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1sc2c(n1)c1c(C2)cccc1OCP(=O)(O)O
  • InChi: 1S/C11H11N2O4PS/c12-11-13-10-8(19-11)4-6-2-1-3-7(9(6)10)17-5-18(14,15)16/h1-3H,4-5H2,(H2,12,13)(H2,14,15,16)
  • InChiKey: UVWYMQWTZQHZHH-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
Homo sapiens fructose-1,6-bisphosphatase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii fructose-bisphospatase II Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania mexicana fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma brucei gambiense fructose-1,6-bisphosphate, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Loa Loa (eye worm) fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Candida albicans similar to S. cerevisiae FBP1 (YLR377C) Fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Schistosoma japonicum ko:K03841 fructose-1,6-bisphosphatase I, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania donovani fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Neospora caninum Fructose-1 6-biphosphatase, related Get druggable targets OG5_127400 All targets in OG5_127400
Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Echinococcus granulosus fructose 16 bisphosphatase 1 Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania braziliensis fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania major Get druggable targets OG5_127400 All targets in OG5_127400
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma brucei fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Schistosoma mansoni fructose-16-bisphosphatase-related Get druggable targets OG5_127400 All targets in OG5_127400
Trypanosoma congolense fructose-1,6-bisphosphate, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania infantum fructose-1,6-bisphosphatase, cytosolic, putative Get druggable targets OG5_127400 All targets in OG5_127400

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii fructose-bisphospatase I fructose-1,6-bisphosphatase 1 338 aa 326 aa 31.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi aurora B kinase, putative 0.0246 1 1
Toxoplasma gondii fructose-bisphospatase II 0.0189 0.7618 0.6747
Echinococcus granulosus Immunoglobulin 0.001 0.0179 0.0179
Entamoeba histolytica protein kinase domain containing protein 0.0246 1 0.5
Loa Loa (eye worm) AUR protein kinase 0.0246 1 1
Echinococcus granulosus defective proboscis extension response 0.001 0.0179 0.0179
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0246 1 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0167 0.6698 0.6698
Schistosoma mansoni tyrosine kinase 0.0007 0.0039 0.0039
Schistosoma mansoni serine/threonine protein kinase 0.0246 1 1
Schistosoma mansoni vesicular amine transporter 0.001 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.001 0.0179 0.0179
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0014 0.0318 0.0318
Brugia malayi serine/threonine kinase 12 0.0246 1 1
Loa Loa (eye worm) AUR protein kinase 0.0246 1 1
Schistosoma mansoni protein kinase 0.0246 1 1
Echinococcus granulosus aurora kinase A 0.0246 1 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0246 1 1
Echinococcus multilocularis roundabout 2 0.0016 0.0427 0.0427
Trichomonas vaginalis AGC family protein kinase 0.0246 1 0.5
Echinococcus granulosus twitchin 0.0015 0.0372 0.0372
Onchocerca volvulus Tyrosine kinase homolog 0.0156 0.624 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0246 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0318 0.0318
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0008 0.0084 0.0084
Onchocerca volvulus 0.0152 0.6092 0.9763
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0246 1 0.5
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0246 1 1
Brugia malayi fructose-1,6-bisphosphatase 0.0189 0.7618 0.7618
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0189 0.7618 0.6747
Loa Loa (eye worm) hypothetical protein 0.001 0.0179 0.0179
Echinococcus granulosus neuroglian 0.0013 0.0288 0.0288
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0189 0.7618 0.7618
Echinococcus multilocularis Immunoglobulin 0.001 0.0179 0.0179
Loa Loa (eye worm) AUR protein kinase 0.0246 1 1
Trypanosoma brucei aurora B kinase 0.0246 1 1
Echinococcus multilocularis Immunoglobulin 0.001 0.0179 0.0179
Entamoeba histolytica protein kinase, putative 0.0246 1 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.001 0.0179 0.0179
Brugia malayi hypothetical protein 0.001 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.001 0.0179 0.0179
Echinococcus multilocularis neuroglian 0.0013 0.0288 0.0288
Entamoeba histolytica protein kinase , putative 0.0246 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0179 0.0179
Schistosoma mansoni cell adhesion molecule 0.0014 0.0318 0.0318
Schistosoma mansoni nephrin 0.0013 0.0288 0.0288
Echinococcus multilocularis aurora kinase A 0.0246 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0427 0.0427
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0189 0.7618 0.6747
Plasmodium falciparum serine/threonine protein kinase, putative 0.0246 1 0.5
Trichomonas vaginalis AGC family protein kinase 0.0246 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0179 0.0179
Brugia malayi Immunoglobulin I-set domain containing protein 0.0167 0.6698 0.6698
Loa Loa (eye worm) hypothetical protein 0.001 0.0179 0.0179
Giardia lamblia Aurora kinase 0.0246 1 0.5
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0189 0.7618 0.7618
Toxoplasma gondii aurora kinase 0.0246 1 1
Trichomonas vaginalis AGC family protein kinase 0.0246 1 0.5
Trichomonas vaginalis AGC family protein kinase 0.0246 1 0.5
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0189 0.7618 0.6747
Loa Loa (eye worm) hypothetical protein 0.0016 0.0427 0.0427
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0246 1 0.5
Brugia malayi serine/threonine-protein kinase 6 0.0246 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0179 0.0179
Echinococcus granulosus roundabout 2 0.0016 0.0427 0.0427
Brugia malayi Fibronectin type III domain containing protein 0.001 0.0179 0.0179
Schistosoma mansoni Neurotrimin precursor (hNT) 0.001 0.0179 0.0179
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0189 0.7618 0.7618
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.001 0.0179 0.0179
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0189 0.7618 0.7618
Entamoeba histolytica protein kinase, putative 0.0246 1 0.5
Leishmania major protein kinase, putative 0.0246 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 124 nM Inhibition of human liver recombinant FBPase ChEMBL. 20045638
IC50 (binding) = 0.124 uM Inhibition of human liver FBPase ChEMBL. 19762234

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

2 literature references were collected for this gene.

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