Detailed information for compound 1491573

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 328.304 | Formula: C11H9N2O4PS2
  • H donors: 3 H acceptors: 4 LogP: 1.12 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(c(s1)c1cccs1)c1ccc(o1)P(=O)(O)O
  • InChi: 1S/C11H9N2O4PS2/c12-11-13-9(10(20-11)7-2-1-5-19-7)6-3-4-8(17-6)18(14,15)16/h1-5H,(H2,12,13)(H2,14,15,16)
  • InChiKey: BINNOYSQOCDCLB-UHFFFAOYSA-N  


Substructure search Similarity search

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
Candida albicans similar to S. cerevisiae FBP1 (YLR377C) Fructose-1,6-bisphosphatase 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
Trypanosoma brucei fructose-1,6-bisphosphatase 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
Leishmania infantum fructose-1,6-bisphosphatase, 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
Toxoplasma gondii fructose-bisphospatase II 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 braziliensis fructose-1,6-bisphosphatase, cytosolic, 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
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 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
Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_127400 All targets in OG5_127400
Leishmania major 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
Schistosoma japonicum ko:K03841 fructose-1,6-bisphosphatase I, putative 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
Trypanosoma brucei gambiense fructose-1,6-bisphosphate, 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0056 0.0973 0.1239
Schistosoma mansoni kinase 0.0111 0.3311 0.4178
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0189 0.6632 0.8436
Brugia malayi Pre-SET motif family protein 0.0236 0.8618 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0218 0.7852 0.784
Trypanosoma cruzi polo-like protein kinase, putative 0.0218 0.7852 1
Trichomonas vaginalis CAMK family protein kinase 0.0218 0.7852 0.6846
Trichomonas vaginalis CAMK family protein kinase 0.0218 0.7852 0.6846
Trichomonas vaginalis set domain proteins, putative 0.0268 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0218 0.7852 0.6846
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0053 0.0067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0056 0.0973 0.1179
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0218 0.7852 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0218 0.7852 1
Plasmodium vivax SET domain protein, putative 0.0034 0.0053 0.5
Toxoplasma gondii fructose-bisphospatase I 0.007 0.1599 0.2349
Trypanosoma brucei polo-like protein kinase 0.0218 0.7852 1
Trichomonas vaginalis CAMK family protein kinase 0.0218 0.7852 0.6846
Trichomonas vaginalis CAMK family protein kinase 0.0218 0.7852 0.6846
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0056 0.0973 0.1179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0056 0.0973 0.1179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0056 0.0973 0.1179
Entamoeba histolytica serine/threonine protein kinase, putative 0.0218 0.7852 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0056 0.0973 0.1179
Trichomonas vaginalis CAMK family protein kinase 0.0218 0.7852 0.6846
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0189 0.6632 0.805
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0218 0.7852 1
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0189 0.6632 0.8447
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0189 0.6632 0.7681
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.007 0.1599 0.2349
Trichomonas vaginalis CAMK family protein kinase 0.0218 0.7852 0.6846
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0056 0.0973 0.1074
Schistosoma mansoni serine/threonine protein kinase 0.0218 0.7852 1
Brugia malayi fructose-1,6-bisphosphatase 0.0189 0.6632 0.7681
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0189 0.6632 0.805
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0218 0.7852 1
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0189 0.6632 0.8436
Brugia malayi serine/threonine-protein kinase plk-2 0.0218 0.7852 0.9105
Toxoplasma gondii fructose-bisphospatase II 0.0189 0.6632 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0189 0.6632 0.805
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.8618 1
Giardia lamblia Kinase, PLK 0.0218 0.7852 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0056 0.0973 0.1074
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0056 0.0973 0.1239
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0218 0.7852 0.9105

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.044 uM Inhibition of human liver FBP ChEMBL. 21126019

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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