TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 244.272 | Formula: C11H8N4OS
H donors: 1 H acceptors: 3 LogP: 1.79 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nnc(o1)c1csc(n1)c1ccccc1
InChi: 1S/C11H8N4OS/c12-11-15-14-9(16-11)8-6-17-10(13-8)7-4-2-1-3-5-7/h1-6H,(H2,12,15)
InChiKey: YNWHDWDTWQHETN-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0147	0.0123
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0826	0.4255	0.4169
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0033	0.0147	1
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0033	0.0147	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0033	0.0147	0.5
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0033	0.0147	0.5
Schistosoma mansoni	cpg binding protein	0.0031	0.0139	0.0139
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0033	0.0147	1
Echinococcus granulosus	phosphoglycerate mutase	0.0033	0.0147	0.0132
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1936	1	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1936	1	1
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.1142	0.5893	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0033	0.0147	0.0132
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0033	0.0147	1
Loa Loa (eye worm)	hypothetical protein	0.1903	0.9831	0.983
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0033	0.0147	0.5
Echinococcus granulosus	phosphoglycerate mutase	0.0033	0.0147	0.0132
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0033	0.0147	0.5
Echinococcus multilocularis	phosphoglycerate mutase	0.0033	0.0147	0.0132
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0033	0.0147	0.5
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0033	0.0147	0.5
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.1903	0.9831	0.9828
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0826	0.4255	0.4169
Schistosoma mansoni	cpg binding protein	0.0029	0.013	0.013
Schistosoma mansoni	6-phosphofructokinase	0.1936	1	1
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0033	0.0147	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0033	0.0147	0.5
Echinococcus granulosus	phosphoglycerate mutase	0.0033	0.0147	0.0132
Echinococcus multilocularis	phosphoglycerate mutase	0.0033	0.0147	0.0132
Echinococcus granulosus	phosphoglycerate mutase	0.0033	0.0147	0.0132
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0033	0.0147	0.5
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0147	0.5
Onchocerca volvulus	Protein UBASH3A homolog	0.0033	0.0147	0.0018
Treponema pallidum	phosphoglyceromutase	0.0033	0.0147	0.5
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0033	0.0147	0.5
Schistosoma mansoni	hypothetical protein	0.0417	0.214	0.214
Echinococcus multilocularis	phosphoglycerate mutase	0.0033	0.0147	0.0132
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0147	1
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0033	0.0147	0.5
Brugia malayi	CXXC zinc finger family protein	0.0029	0.013	0.8583
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.1142	0.5893	1
Mycobacterium leprae	conserved hypothetical protein	0.0033	0.0147	0.5
Schistosoma mansoni	hypothetical protein	0.0033	0.0147	0.0147
Onchocerca volvulus	Protein UBASH3A homolog	0.0033	0.0147	0.0018
Giardia lamblia	Hypothetical protein	0.1142	0.5893	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0025	0.0009
Onchocerca volvulus		0.1936	1	1
Mycobacterium leprae	probable isochorismate synthase EntC	0.0033	0.0147	0.5
Loa Loa (eye worm)	hypothetical protein	0.1936	1	1
Echinococcus granulosus	dnaJ subfamily B	0.0417	0.214	0.2127
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.1936	1	1
Plasmodium vivax	phosphoglucomutase-2, putative	0.0033	0.0147	0.5
Echinococcus multilocularis	phosphoglycerate mutase	0.0033	0.0147	0.0132
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0025	0.0009
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0033	0.0147	0.0132
Plasmodium vivax	phosphoglycerate mutase, putative	0.0033	0.0147	0.5
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1936	1	1
Brugia malayi	phosphoglycerate mutase family protein	0.0033	0.0147	1
Brugia malayi	phosphoglycerate mutase family protein	0.0033	0.0147	1
Loa Loa (eye worm)	hypothetical protein	0.111	0.5724	0.5713
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0033	0.0147	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0147	0.0123
Mycobacterium leprae	conserved hypothetical protein	0.0033	0.0147	0.5
Onchocerca volvulus	Protein UBASH3A homolog	0.0033	0.0147	0.0018
Onchocerca volvulus		0.0033	0.0147	0.0018
Onchocerca volvulus	Protein UBASH3A homolog	0.0033	0.0147	0.0018
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1936	1	1
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0147	0.5
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0033	0.0147	0.5
Mycobacterium ulcerans	hypothetical protein	0.1142	0.5893	1
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0033	0.0147	0.0132
Echinococcus multilocularis	cpg binding protein	0.0031	0.0139	0.0123
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0033	0.0147	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0147	0.0123
Onchocerca volvulus		0.0033	0.0147	0.0018
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0033	0.0147	0.5
Schistosoma mansoni	phosphoglycerate mutase	0.0033	0.0147	0.0147
Schistosoma mansoni	hypothetical protein	0.0033	0.0147	0.0147
Giardia lamblia	Hypothetical protein	0.1142	0.5893	0.5
Schistosoma mansoni	cpg binding protein	0.0031	0.0139	0.0139
Loa Loa (eye worm)	phosphoglycerate mutase	0.0033	0.0147	0.0123
Schistosoma mansoni	hypothetical protein	0.0033	0.0147	0.0147
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.03	0.03
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0826	0.4255	0.4169
Schistosoma mansoni	hypothetical protein	0.0033	0.0147	0.0147
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0147	1
Brugia malayi	UBASH3A protein homolog	0.0033	0.0147	1
Onchocerca volvulus		0.0033	0.0147	0.0018
Schistosoma mansoni	hypothetical protein	0.0033	0.0147	0.0147
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.1903	0.9831	0.9828
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0147	0.0123
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.1903	0.9831	0.9828
Plasmodium falciparum	phosphoglucomutase-2	0.0033	0.0147	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0016	0.0016
Echinococcus granulosus	phosphoglycerate mutase	0.0033	0.0147	0.0132
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0033	0.0147	0.0132
Echinococcus multilocularis	dnaJ subfamily B	0.0417	0.214	0.2127
Echinococcus granulosus	cpg binding protein	0.0031	0.0139	0.0123
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1903	0.9831	0.9828
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0266	1
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0033	0.0147	0.0132
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0033	0.0147	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0826	0.4255	0.4169
Schistosoma mansoni	phosphoglycerate mutase	0.0033	0.0147	0.0147
Echinococcus multilocularis	phosphoglycerate mutase	0.0033	0.0147	0.0132
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.013	0.0105
Schistosoma mansoni	hypothetical protein	0.0033	0.0147	0.0147

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 20.33 %	Analgesic activity in Albino Mus musculus (mouse) assessed as inhibition of acetic acid-induced abdominal writhings at 25 mg/kg, po administered 50 min prior to acetic acid injection measured after 10 min	ChEMBL.	No reference

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: CHEMBL2298193

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1791360