TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 317.685 | Formula: C11H9ClNO4PS
H donors: 2 H acceptors: 4 LogP: 1.52 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c2c1Cc1c2ncs1)OCP(=O)(O)O
InChi: 1S/C11H9ClNO4PS/c12-7-1-2-8(17-5-18(14,15)16)10-6(7)3-9-11(10)13-4-19-9/h1-2,4H,3,5H2,(H2,14,15,16)
InChiKey: CLBHLVFYJOHEMD-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 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
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
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
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
Leishmania mexicana	fructose-1,6-bisphosphatase, cytosolic, putative	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

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
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.0189	0.5613	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0515	0.0647
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0515	1
Brugia malayi	follicle stimulating hormone receptor	0.0269	0.8157	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.183	0.183
Brugia malayi	hypothetical protein	0.0029	0.0515	0.0441
Brugia malayi	Pre-SET motif family protein	0.0035	0.0687	0.0656
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0162	0.0043
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.183	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0162	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0312	0.023
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.007	0.1825	0.305
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0515	0.0482
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0515	0.6923
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0018	0.0162	0.0289
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0068	0.1759	0.3134
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0515	0.0647
Onchocerca volvulus		0.0035	0.0687	0.0466
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0687	0.0687
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0128	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.1275	0.1275
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0646	0.0646
Leishmania major	hypothetical protein, conserved	0.0029	0.0515	0.0647
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0189	0.5613	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0162	0.0043
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0312	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0068	0.1759	0.3134
Schistosoma mansoni	jumonji domain containing protein	0.0068	0.1759	0.3134
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0312	0.1239
Leishmania major		0.0189	0.5613	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1275	0.2271
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0515	0.0647
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0515	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.1275	0.1275
Brugia malayi	fructose-1,6-bisphosphatase	0.0189	0.5613	0.6819
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0312	0.1086
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0687	0.1223
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.183	1
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0018	0.0162	0.0891
Echinococcus granulosus	jumonji domain containing 1A	0.0018	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0162	0.0043
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0312	0.1239
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0269	0.8157	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0312	0.1086
Loa Loa (eye worm)	jmjC domain-containing protein	0.0068	0.1759	0.2032
Echinococcus granulosus	lysine specific demethylase 6a	0.0018	0.0162	0.0162
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.1275	0.1275
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0687	0.1223
Schistosoma mansoni	phosphatidylserine receptor	0.0018	0.0162	0.0289
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0312	0.0276
Schistosoma mansoni	jumonji domain containing protein	0.0018	0.0162	0.0289
Onchocerca volvulus		0.0048	0.1106	0.0988
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1275	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1106	0.1219
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0312	0.1086
Toxoplasma gondii	fructose-bisphospatase II	0.0189	0.5613	1
Toxoplasma gondii	fructose-bisphospatase I	0.007	0.1825	0.305
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0312	0.0188
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0312	0.1086
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0687	0.0962
Echinococcus multilocularis	lysine specific demethylase 5A	0.0068	0.1759	0.1759
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.1275	0.1275
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0162	0.0043
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.0189	0.5613	0.5613
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.007	0.1825	0.305
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0312	0.5
Echinococcus multilocularis	tumor protein p63	0.0326	1	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0312	0.5
Brugia malayi	Pre-SET motif family protein	0.0241	0.7287	0.8912
Echinococcus granulosus	phd:f box containing protein	0.0018	0.0162	0.0162
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0687	0.1223
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0312	0.1086
Schistosoma mansoni	phd/f-box containing protein	0.0018	0.0162	0.0289
Trichomonas vaginalis	set domain proteins, putative	0.0275	0.8352	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0312	0.0276
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0128	0.0172
Schistosoma mansoni	protein phosphatase 2C	0.0018	0.0162	0.0289
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0312	0.1086
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0687	0.0687
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.1275	0.1429
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0068	0.1759	0.1759
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0162	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0312	0.023
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0312	0.5
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.0189	0.5613	0.6832
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.0189	0.5613	1
Echinococcus multilocularis	JmjC domain containing protein 4	0.0018	0.0162	0.0162
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.183	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0312	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1275	0.2271
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0068	0.1759	0.1759
Plasmodium vivax	JmjC domain containing protein	0.0018	0.0162	0.0617
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0687	0.0687
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0312	0.1086
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.1106	0.1971
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0312	0.0188
Brugia malayi	hypothetical protein	0.0019	0.0184	0.0027
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.183	0.3259
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0687	0.0696
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.183	0.3059
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.007	0.1825	0.305
Brugia malayi	jmjC domain containing protein	0.0068	0.1759	0.1997
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.0189	0.5613	1
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0018	0.0162	0.0162
Echinococcus granulosus	lysine specific demethylase 5A	0.0068	0.1759	0.1759
Echinococcus multilocularis	jumonji domain containing 1A	0.0018	0.0162	0.0162
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.0189	0.5613	0.5613
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0312	0.1086
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0241	0.7287	0.8917
Brugia malayi	jmjC domain containing protein	0.0068	0.1759	0.1997
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0312	0.023
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.183	0.3259
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.1275	0.1392
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.007	0.1825	0.305
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0312	0.0188
Echinococcus multilocularis	lysine specific demethylase 6a	0.0018	0.0162	0.0162
Echinococcus granulosus	JmjC domain containing protein 4	0.0018	0.0162	0.0162
Onchocerca volvulus		0.0275	0.8352	1
Plasmodium vivax	SET domain protein, putative	0.0035	0.0687	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0515	0.0647
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.183	0.183
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0018	0.0162	0.0162
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0687	0.1223
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0312	0.0276
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.183	0.3059
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.183	1
Echinococcus multilocularis	phd:f box containing protein	0.0018	0.0162	0.0162

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8 nM	Inhibition of human liver recombinant FBPase	ChEMBL.	20045638

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: CHEMBL597484

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 1090811