TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 321.229 | Formula: C12H12N5O4P
H donors: 3 H acceptors: 6 LogP: -0.71 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncnc2c1nc(n2C1CC1)c1ccc(o1)P(=O)(O)O
InChi: 1S/C12H12N5O4P/c13-10-9-12(15-5-14-10)17(6-1-2-6)11(16-9)7-3-4-8(21-7)22(18,19)20/h3-6H,1-2H2,(H2,13,14,15)(H2,18,19,20)
InChiKey: NSROVYPOWNMBGC-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
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
Trypanosoma cruzi	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
Brugia malayi	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
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
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
Loa Loa (eye worm)	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
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
Neospora caninum	Fructose-1 6-biphosphatase, related	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
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

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
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0065	0.5
Schistosoma mansoni	opsin-like receptor	0.0007	0.0082	0.0164
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.0189	0.4978	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0711	0.1428
Schistosoma mansoni	adenoreceptor	0.0007	0.0082	0.0164
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0065	0.5
Schistosoma mansoni	myosin xvIII	0.0007	0.0082	0.0164
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	hypothetical protein	0.0007	0.0082	0.0164
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0065	0.5
Echinococcus granulosus	cpg binding protein	0.0031	0.0711	0.1286
Schistosoma mansoni	amine GPCR	0.0007	0.0082	0.0164
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0082	0.0164
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0007	0.0082	0.0164
Schistosoma mansoni	neuropeptide f receptor 76f	0.0007	0.0082	0.0164
Schistosoma mansoni	histamine h1 receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	amine GPCR	0.0007	0.0082	0.0164
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.0189	0.4978	0.3889
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0375	1	1
Schistosoma mansoni	amine GPCR	0.0007	0.0082	0.0164
Onchocerca volvulus		0.0029	0.0667	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0007	0.0082	0.0164
Schistosoma mansoni	amine GPCR	0.0007	0.0082	0.0164
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0126	0.0045
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0007	0.0082	0.0164
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0065	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0007	0.0082	0.0164
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0007	0.0082	0.0164
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0065	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1128	0.2266
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0065	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0129	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0375	1	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0007	0.0082	0.0164
Schistosoma mansoni	neuropeptide receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0007	0.0082	0.0164
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1128	0.2137
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0007	0.0082	0.0164
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0667	0.059
Schistosoma mansoni	neuropeptide receptor	0.0007	0.0082	0.0164
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0065	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	neuropeptide F-like receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	biogenic amine receptor	0.0007	0.0082	0.0164
Toxoplasma gondii	fructose-bisphospatase I	0.007	0.1781	0.1157
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0007	0.0082	0.0164
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0065	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	neuropeptide receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	hypothetical protein	0.0007	0.0082	0.0164
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0667	0.059
Schistosoma mansoni	opsin-like receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.1539	0.3092
Schistosoma mansoni	biogenic amine receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1128	0.2266
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.0189	0.4978	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0007	0.0082	0.0164
Schistosoma mansoni	cpg binding protein	0.0031	0.0711	0.1428
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.0189	0.4978	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1128	0.1055
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1128	0.2137
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0065	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0007	0.0082	0.0164
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0007	0.0082	0.0164
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0065	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0007	0.0082	0.0164
Toxoplasma gondii	fructose-bisphospatase II	0.0189	0.4978	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0065	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0065	0.5
Brugia malayi	fructose-1,6-bisphosphatase	0.0189	0.4978	0.4936
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0375	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0065	0.5
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0189	0.4978	0.3889
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.007	0.1781	0.1157
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1128	0.1055
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	amine GPCR	0.0007	0.0082	0.0164
Schistosoma mansoni	biogenic amine receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	hypothetical protein	0.0007	0.0082	0.0164
Leishmania major	C-8 sterol isomerase-like protein	0.0375	1	1
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.0189	0.4978	0.4936
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0129	0.0097
Trichomonas vaginalis	helicase, putative	0.0007	0.0065	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0007	0.0082	0.0164
Schistosoma mansoni	neuropeptide receptor	0.0007	0.0082	0.0164
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0065	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1128	0.2266
Schistosoma mansoni	neuropeptide F-like receptor	0.0007	0.0082	0.0164
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1128	0.2137
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1128	0.2137
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0129	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0192	0.5057	0.5016
Schistosoma mansoni	cpg binding protein	0.0029	0.0667	0.1339
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0189	0.4978	0.3889
Schistosoma mansoni	hypothetical protein	0.0007	0.0082	0.0164
Echinococcus multilocularis	cpg binding protein	0.0031	0.0711	0.1286
Schistosoma mansoni	opsin-like receptor	0.0007	0.0082	0.0164
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0065	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0065	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0007	0.0082	0.0164
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0065	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0007	0.0082	0.0164

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.5 uM	Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry	ChEMBL.	19348494

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: CHEMBL514803

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 1013401