TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 407.552 | Formula: C13H17N3O4S4
H donors: 3 H acceptors: 5 LogP: 3.21 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OCCc1sc(cc1C)S(=O)(=O)NC(=O)Nc1nc(c(s1)SC)C
InChi: 1S/C13H17N3O4S4/c1-7-6-10(22-9(7)4-5-17)24(19,20)16-12(18)15-13-14-8(2)11(21-3)23-13/h6,17H,4-5H2,1-3H3,(H2,14,15,16,18)
InChiKey: DWNWDKRMRCFDSY-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
Mus musculus	fructose bisphosphatase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	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
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
Toxoplasma gondii	fructose-bisphospatase II	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
Neospora caninum	Fructose-1 6-biphosphatase, 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
Trypanosoma cruzi	fructose-1,6-bisphosphatase, 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
Echinococcus granulosus	fructose 16 bisphosphatase 1	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
Brugia malayi	fructose-1,6-bisphosphatase	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
Trypanosoma brucei	fructose-1,6-bisphosphatase	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 major		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 %
Toxoplasma gondii	fructose-bisphospatase I	fructose bisphosphatase 1	338 aa	326 aa	29.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0519	0.0519
Brugia malayi	beta-lactamase family protein	0.0039	0.0519	0.0519
Leishmania major		0.0378	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0248	0.637	1
Brugia malayi	MH2 domain containing protein	0.0117	0.2713	0.2713
Schistosoma mansoni	alpha-glucosidase	0.0138	0.3286	0.3286
Echinococcus granulosus	short transient receptor potential channel 6	0.0099	0.2213	0.2213
Trypanosoma brucei	glucosidase, putative	0.0036	0.0426	0.0426
Echinococcus multilocularis	short transient receptor potential channel 6	0.0328	0.8591	0.8591
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0125	0.0125
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0426	0.0426
Schistosoma mansoni	alpha glucosidase	0.0036	0.0426	0.0426
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0426	0.0426
Schistosoma mansoni	hypothetical protein	0.0032	0.0318	0.0318
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.0141	0.3363	0.3363
Plasmodium falciparum	histone acetyltransferase GCN5	0.0076	0.1569	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0519	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0519	0.0519
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0083	0.1763	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0426	0.2417
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0283	0.7356	0.7356
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0125	0.0125
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.223	0.223
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0812	0.0812
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.0378	1	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0426	0.2716
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0812	0.0812
Leishmania major	hypothetical protein, conserved	0.0025	0.0125	0.0125
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0519	0.0814
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0519	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0083	0.1763	0.1763
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.0141	0.3363	0.3363
Echinococcus granulosus	short transient receptor potential channel 6	0.0328	0.8591	0.8591
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0125	0.0125
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0519	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0519	0.0814
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.016	0.3909	0.3909
Brugia malayi	Glycosyl hydrolases family 31 protein	0.016	0.3909	0.3909
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0125	0.0799
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2073	0.2073
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0083	0.1763	0.1763
Brugia malayi	beta-lactamase family protein	0.0039	0.0519	0.0519
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0378	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0812	0.0812
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0426	0.2417
Brugia malayi	acetyltransferase, GNAT family protein	0.0283	0.7356	0.7356
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0318	0.0318
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0519	0.0814
Mycobacterium ulcerans	lipase LipD	0.0039	0.0519	1
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0519	0.5
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0141	0.3363	0.3363
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0318	0.0318
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0125	0.0711
Echinococcus granulosus	geminin	0.0167	0.4088	0.4088
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0426	0.2417
Toxoplasma gondii	fructose-bisphospatase I	0.0141	0.3363	0.3363
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0125	0.0125
Loa Loa (eye worm)	hypothetical protein	0.01	0.223	0.223
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0519	0.0519
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0519	0.2942
Toxoplasma gondii	ABC1 family protein	0.0039	0.0519	0.0519
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0426	0.2417
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0519	0.0519
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0426	0.2417
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0519	0.2942
Schistosoma mansoni	transient receptor potential channel	0.0099	0.2213	0.2213
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.2713	0.2713
Schistosoma mansoni	hypothetical protein	0.0167	0.4088	0.4088
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0519	0.2942
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0426	0.0426
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0378	1	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.016	0.3909	0.3909
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0519	0.0814
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0812	0.0812
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0519	0.2942
Schistosoma mansoni	alpha-glucosidase	0.0138	0.3286	0.3286
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0519	0.0814
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0519	0.0519
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0318	0.0318
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0519	0.5
Entamoeba histolytica	acetyltransferase, GNAT family	0.0076	0.1569	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0812	0.0812
Schistosoma mansoni	hypothetical protein	0.0068	0.1345	0.1345
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0426	0.2417
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0426	0.2417
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0426	0.0426
Echinococcus multilocularis	lysosomal alpha glucosidase	0.016	0.3909	0.3909
Echinococcus multilocularis	lysosomal alpha glucosidase	0.016	0.3909	0.3909
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0519	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2213	0.2213
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0318	0.0318
Echinococcus granulosus	transient receptor potential ion channel A	0.0094	0.2073	0.2073
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0125	0.0125
Loa Loa (eye worm)	acetyltransferase	0.0283	0.7356	0.7356
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0426	0.0426
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0519	1
Schistosoma mansoni	hypothetical protein	0.0167	0.4088	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0519	0.0519
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0426	0.2417
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0812	0.0812
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.0378	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0812	0.0812
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.223	0.223
Giardia lamblia	Histone acetyltransferase GCN5	0.0076	0.1569	1
Echinococcus multilocularis	geminin	0.0167	0.4088	0.4088
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.0378	1	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0083	0.1763	0.1763
Brugia malayi	hypothetical protein	0.0025	0.0125	0.0125
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0519	0.0519
Schistosoma mansoni	transient receptor potential channel 4	0.0099	0.2213	0.2213
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0318	0.0318
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0083	0.1763	1
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.0378	1	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0426	0.2716
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0519	0.0814
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0283	0.7356	0.7356
Schistosoma mansoni	hypothetical protein	0.0032	0.0318	0.0318
Schistosoma mansoni	transient receptor potential channel	0.0099	0.2213	0.2213
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0812	0.0812
Schistosoma mansoni	hypothetical protein	0.0032	0.0318	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0519	0.0519
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0519	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0	0.5
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0275	0.7134	0.7134
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0519	0.0519
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0519	0.0814
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0426	0.2417
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0318	0.0318
Leishmania major	hypothetical protein, conserved	0.0039	0.0519	0.0519
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0426	0.0426
Trichomonas vaginalis	esterase, putative	0.0039	0.0519	0.2942
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.1345	0.1345
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0125	0.0799
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0519	0.2942
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.2713	0.2713
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0519	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0519	0.0519
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.223	0.223
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0426	0.0426
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0318	0.0318
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0083	0.1763	1
Onchocerca volvulus		0.0093	0.2022	1
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0519	0.0519
Brugia malayi	beta-lactamase	0.0039	0.0519	0.0519
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0318	0.0318
Echinococcus granulosus	transient receptor potential gamma protein	0.0099	0.2213	0.2213
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1345	0.1345
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0519	0.0519
Echinococcus multilocularis	transient receptor potential gamma protein	0.0099	0.2213	0.2213
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0812	0.0812
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0519	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0519	0.0519
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0519	0.0519
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0519	0.2942
Schistosoma mansoni	transient receptor potential channel	0.0328	0.8591	0.8591
Echinococcus multilocularis	short transient receptor potential channel 6	0.0099	0.2213	0.2213
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.0378	1	1
Echinococcus multilocularis	transient receptor potential ion channel A	0.0094	0.2073	0.2073
Echinococcus granulosus	GPCR family 2	0.0032	0.0318	0.0318
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0318	0.0318
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0426	0.0426
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0141	0.3363	0.3363
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0519	0.0814
Toxoplasma gondii	fructose-bisphospatase II	0.0378	1	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0318	0.0318

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 2.8 uM	Inhibition of FBPase in mouse liver	ChEMBL.	19969452
IC50 (binding)	= 0.07 uM	Inhibition of FBPase in human liver	ChEMBL.	19969452

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: CHEMBL605615

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 1099906