TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 282.255 | Formula: C11H11N2O3PS
H donors: 3 H acceptors: 4 LogP: 0.63 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Nc1sc2c(n1)c1cc(ccc1CC2)P(=O)(O)O
InChi: 1S/C11H11N2O3PS/c12-11-13-10-8-5-7(17(14,15)16)3-1-6(8)2-4-9(10)18-11/h1,3,5H,2,4H2,(H2,12,13)(H2,14,15,16)
InChiKey: BDWFRPBDHXHMRF-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	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
Toxoplasma gondii	fructose-bisphospatase II	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
Leishmania braziliensis	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
Candida albicans	similar to S. cerevisiae FBP1 (YLR377C) Fructose-1,6-bisphosphatase	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
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
Brugia malayi	fructose-1,6-bisphosphatase	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
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	Get druggable targets OG5_127400	All targets in OG5_127400
Leishmania major		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
Trypanosoma congolense	fructose-1,6-bisphosphate, cytosolic, putative	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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0326	0.0991
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0039	0.0267
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0326	0.0991
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.2574	0.354
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	1	1
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0079	0.0307
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0326	0.0326
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.007	0.2294	0.3156
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.046	0.1786
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0079	0.0079
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.2574	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1235	0.1699
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.0189	0.727	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0326	0.0449
Trichomonas vaginalis	glucosylceramidase, putative	0.0176	0.6714	0.1027
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.2574	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0326	0.0326
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	1	1
Brugia malayi	Probable ClpP-like protease	0.0077	0.2574	0.2574
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0326	0.0991
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2574	0.2574
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.1463	0.2012
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1235	0.1235
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.007	0.2294	0.3156
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.0189	0.727	0.727
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0039	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0079	0.0079
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.1463	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.2574	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0079	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0079	0.0079
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	1	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.2574	1
Toxoplasma gondii	hypothetical protein	0.0027	0.046	0.0632
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.2574	0.354
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0326	0.5
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.2574	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	1	1
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0189	0.727	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.2574	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.2574	0.354
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0326	0.0991
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1235	0.1699
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0326	0.0991
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.007	0.2294	0.3156
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.2574	1
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.0189	0.727	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0326	0.0326
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0326	0.0991
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0326	0.0326
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1235	0.1699
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0326	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1235	0.1699
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0326	0.223
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.0189	0.727	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1235	0.1235
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0039	0.0267
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.2574	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0326	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0326	0.0326
Schistosoma mansoni	hypothetical protein	0.0173	0.6606	0.9086
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0254	1	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.046	0.1786
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1235	0.1699
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0039	0.0267
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1235	0.1699
Leishmania major		0.0189	0.727	1
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.0189	0.727	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0326	0.223
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.2574	0.354
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0079	0.0079
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0326	0.0991
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0326	0.0449
Schistosoma mansoni	hypothetical protein	0.0173	0.6606	0.9086
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0326	0.0991
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.2574	0.354
Onchocerca volvulus	Glucosylceramidase homolog	0.0167	0.6337	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0079	0.0079
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1235	0.1699
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0326	0.5
Echinococcus granulosus	geminin	0.0173	0.6606	0.9086
Toxoplasma gondii	fructose-bisphospatase I	0.007	0.2294	0.3156
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0326	0.0449
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.1463	1
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0189	0.727	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.1463	0.5056
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0079	0.054
Brugia malayi	fructose-1,6-bisphosphatase	0.0189	0.727	0.727
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.007	0.2294	0.3156
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.1463	0.2012
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0027	0.046	0.0593
Echinococcus multilocularis	geminin	0.0173	0.6606	0.9086
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	1	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.2574	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0176	0.6714	0.1027
Toxoplasma gondii	fructose-bisphospatase II	0.0189	0.727	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9.32 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

ChEMBL: CHEMBL567512

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1065179