TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 378.383 | Formula: C17H19N2O4PS
H donors: 3 H acceptors: 4 LogP: 3.07 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Nc1sc(c(n1)c1ccc(o1)P(=O)(O)O)c1ccc(cc1)C(C)(C)C
InChi: 1S/C17H19N2O4PS/c1-17(2,3)11-6-4-10(5-7-11)15-14(19-16(18)25-15)12-8-9-13(23-12)24(20,21)22/h4-9H,1-3H3,(H2,18,19)(H2,20,21,22)
InChiKey: FXIVTBCZZKPVNI-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
Schistosoma japonicum	ko:K03841 fructose-1,6-bisphosphatase I, 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
Toxoplasma gondii	fructose-bisphospatase II	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
Schistosoma mansoni	fructose-16-bisphosphatase-related	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
Leishmania major		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
Neospora caninum	Fructose-1 6-biphosphatase, related	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 donovani	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
Candida albicans	similar to S. cerevisiae FBP1 (YLR377C) 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
Leishmania infantum	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
Brugia malayi	fructose-1,6-bisphosphatase	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
Plasmodium vivax	hypothetical protein, conserved	0.0084	0.0192	0.5
Schistosoma mansoni	tyrosine kinase	0.0254	0.1099	0.2754
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0529	0.0806
Onchocerca volvulus	Matrilysin homolog	0.117	0.5999	1
Loa Loa (eye worm)	hypothetical protein	0.0528	0.2563	0.3905
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1197	0.6141	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0084	0.0192	0.5
Schistosoma mansoni	tyrosine kinase	0.0422	0.1999	0.5013
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0084	0.0192	0.118
Entamoeba histolytica	hypothetical protein	0.0106	0.0309	0.5
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0084	0.0192	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0101	0.028	0.0427
Echinococcus multilocularis	microtubule associated protein 2	0.0675	0.3349	0.3301
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.0978	0.0913
Schistosoma mansoni	amine oxidase	0.0084	0.0192	0.0482
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.1919	1	1
Mycobacterium leprae	PROBABLE HYDROLASE	0.0643	0.3178	1
Echinococcus multilocularis		0.0084	0.0192	0.0122
Onchocerca volvulus	Matrix metalloproteinase homolog	0.117	0.5999	1
Onchocerca volvulus		0.0528	0.2563	0.4272
Echinococcus granulosus	insulin receptor	0.0254	0.1099	0.1035
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0192	0.0293
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0147	0.0529	0.0806
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0084	0.0192	0.5
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.0189	0.0752	0.1146
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0084	0.0192	0.0482
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0071	0.0178
Echinococcus granulosus	epidermal growth factor receptor	0.0794	0.3988	0.3945
Echinococcus granulosus	epidermal growth factor receptor	0.0427	0.2023	0.1966
Brugia malayi	Protein kinase domain containing protein	0.0254	0.1099	0.1583
Brugia malayi	hypothetical protein	0.0231	0.0978	0.1396
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0084	0.0192	0.0122
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0189	0.0752	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0192	0.0293
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0071	0.0178
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0254	0.1099	0.1035
Schistosoma mansoni	amine oxidase	0.0084	0.0192	0.0482
Brugia malayi	SWIRM domain containing protein	0.0084	0.0192	0.0187
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0071	0.0108
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0106	0.0309	0.024
Loa Loa (eye worm)	hypothetical protein	0.0528	0.2563	0.3905
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0084	0.0192	0.0122
Schistosoma mansoni	hypothetical protein	0.0106	0.0309	0.0775
Brugia malayi	Matrixin family protein	0.0528	0.2563	0.3838
Brugia malayi	Matrixin family protein	0.0528	0.2563	0.3838
Loa Loa (eye worm)	TK/INSR protein kinase	0.0254	0.1099	0.1674
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0192	0.0293
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.0189	0.0752	0.0686
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0071	0.0178
Schistosoma mansoni	transcription factor LCR-F1	0.0106	0.0309	0.0775
Toxoplasma gondii	fructose-bisphospatase II	0.0189	0.0752	1
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0771	0.3865	0.9691
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0084	0.0192	0.118
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0147	0.0529	0.0706
Echinococcus multilocularis		0.0246	0.1056	0.0992
Brugia malayi	hypothetical protein	0.0106	0.0309	0.0367
Entamoeba histolytica	hypothetical protein	0.0106	0.0309	0.5
Echinococcus multilocularis	tumor protein p63	0.033	0.1508	0.1447
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0071	0.0178
Schistosoma mansoni	hypothetical protein	0.0748	0.3742	0.9383
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0189	0.0752	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1197	0.6141	1
Schistosoma mansoni	tyrosine kinase	0.0427	0.2023	0.5073
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0084	0.0192	0.5
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.0189	0.0752	0.1886
Loa Loa (eye worm)	hypothetical protein	0.0643	0.3178	0.4842
Mycobacterium ulcerans	hydrolase	0.0643	0.3178	0.5019
Plasmodium vivax	hypothetical protein, conserved	0.0084	0.0192	0.5
Schistosoma mansoni	tyrosine kinase	0.0427	0.2023	0.5073
Echinococcus multilocularis	insulin receptor	0.0254	0.1099	0.1035
Schistosoma mansoni	tyrosine kinase	0.0422	0.1999	0.5013
Plasmodium falciparum	protoporphyrinogen oxidase	0.0084	0.0192	0.5
Echinococcus multilocularis	epidermal growth factor receptor	0.0794	0.3988	0.3945
Echinococcus granulosus	microtubule associated protein 2	0.0675	0.3349	0.3301
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0106	0.0309	0.024
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0192	0.0293
Onchocerca volvulus		0.0084	0.0192	0.032
Loa Loa (eye worm)	hypothetical protein	0.0528	0.2563	0.3905
Onchocerca volvulus	Matrilysin homolog	0.0528	0.2563	0.4272
Brugia malayi	Furin-like cysteine rich region family protein	0.0794	0.3988	0.6034
Entamoeba histolytica	hypothetical protein	0.0106	0.0309	0.5
Brugia malayi	Matrixin family protein	0.0528	0.2563	0.3838
Leishmania major		0.0189	0.0752	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.0978	0.0913
Loa Loa (eye worm)	matrixin family protein	0.1276	0.6564	1
Schistosoma mansoni	tyrosine kinase	0.0422	0.1999	0.5013
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0427	0.2023	0.1966
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0192	0.0293
Brugia malayi	Matrixin family protein	0.0528	0.2563	0.3838
Schistosoma mansoni	tyrosine kinase	0.0794	0.3988	1
Toxoplasma gondii	histone lysine-specific demethylase	0.0084	0.0192	0.118
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0084	0.0192	0.0122
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0643	0.3178	0.4785
Loa Loa (eye worm)	matrixin family protein	0.117	0.5999	0.914
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0071	0.0178
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.0189	0.0752	0.0686
Schistosoma mansoni	tyrosine kinase	0.0254	0.1099	0.2754
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0528	0.2563	0.6426
Schistosoma mansoni	hypothetical protein	0.0101	0.028	0.0702
Brugia malayi	fructose-1,6-bisphosphatase	0.0189	0.0752	0.1049
Entamoeba histolytica	hypothetical protein	0.0106	0.0309	0.5
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.0189	0.0752	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0071	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0231	0.0978	0.1489
Schistosoma mansoni	microtubule-associated protein tau	0.0675	0.3349	0.8396
Loa Loa (eye worm)	matrix metalloproteinase	0.0528	0.2563	0.3905
Onchocerca volvulus		0.0748	0.3742	0.6237
Brugia malayi	latrophilin 2 splice variant baaae	0.0101	0.028	0.0322
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0643	0.3178	0.543
Echinococcus multilocularis	epidermal growth factor receptor	0.0427	0.2023	0.1966
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0084	0.0192	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0071	0.0108
Echinococcus granulosus	tumor protein p63	0.033	0.1508	0.1447
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0084	0.0192	0.0482
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0084	0.0192	0.118
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0794	0.3988	0.6076
Brugia malayi	Hemopexin family protein	0.0748	0.3742	0.5654
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1113	0.5691	1
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0084	0.0192	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0147	0.0529	0.0706
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0254	0.1099	0.1035
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0192	0.0293
Brugia malayi	hypothetical protein	0.0084	0.0192	0.0187
Brugia malayi	amine oxidase, flavin-containing family protein	0.0084	0.0192	0.0187
Brugia malayi	Matrixin family protein	0.1276	0.6564	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.088 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

ChEMBL: CHEMBL1650202

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 1492330