TDR Targets

Basic information

Technical information

TDR Targets ID: 984816
Name: 2,2-dioxo-1,5-dihydroimidazo[5,4-d][1,2,6]thi adiazin-4-one
MW: 188.165 | Formula: C4H4N4O3S
H donors: 3 H acceptors: 4 LogP: -1.06 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NS(=O)(=O)Nc2c1[nH]cn2
InChi: 1S/C4H4N4O3S/c9-4-2-3(6-1-5-2)7-12(10,11)8-4/h1,7H,(H,5,6)(H,8,9)
InChiKey: BSAXWMSAVVOOHO-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

2,2-diketo-1,5-dihydroimidazo[5,4-d][1,2,6]thiadiazin-4-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase/IMP cyclohydrolase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Wolbachia endosymbiont of Brugia malayi	AICAR transformylase/IMP cyclohydrolase PurH	Get druggable targets OG5_127961	All targets in OG5_127961
Candida albicans	Bifunctional transforymlase/cyclohydrolase	Get druggable targets OG5_127961	All targets in OG5_127961
Candida albicans	Bifunctional transforymlase/cyclohydrolase	Get druggable targets OG5_127961	All targets in OG5_127961
Mycobacterium tuberculosis	Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo	Get druggable targets OG5_127961	All targets in OG5_127961
Mycobacterium ulcerans	bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase	Get druggable targets OG5_127961	All targets in OG5_127961
Mycobacterium leprae	Probable bifunctional purine biosynthesis protein PurH : phosphoribosylaminoimidazolecarboxamide formyltransferase (aicar transf	Get druggable targets OG5_127961	All targets in OG5_127961

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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0227	0.0338
Schistosoma mansoni	hypothetical protein	0.0042	0.0086	0.0127
Brugia malayi	HSF-type DNA-binding domain containing protein	0.0103	0.0838	0.1261
Echinococcus granulosus	potassium voltage gated channel protein	0.034	0.3785	0.56
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0122	0.1083	0.156
Schistosoma mansoni	hypothetical protein	0.0042	0.0086	0.0127
Brugia malayi	Steroid receptor seven-up type 2	0.0137	0.127	0.1911
Trypanosoma brucei	PAB1-binding protein , putative	0.0086	0.0627	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0227	0.0189
Plasmodium falciparum	ataxin-2 like protein, putative	0.0086	0.0627	1
Brugia malayi	hypothetical protein	0.0086	0.0627	0.0945
Trypanosoma cruzi	PAB1-binding protein , putative	0.0086	0.0627	0.5
Echinococcus granulosus	X box binding protein 1	0.0298	0.327	0.483
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0105	0.0158
Mycobacterium leprae	Probable bifunctional purine biosynthesis protein PurH : phosphoribosylaminoimidazolecarboxamide formyltransferase (aicar transf	0.0293	0.3207	0.5
Entamoeba histolytica	heat shock transcription factor, putative	0.0103	0.0838	0.0354
Mycobacterium ulcerans	bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase	0.0293	0.3207	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0086	0.0127
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0503	0.0757
Schistosoma mansoni	aspartate carbamoyltransferase	0.0038	0.0035	0.0052
Loa Loa (eye worm)	transcription factor SMAD2	0.0244	0.2601	0.3915
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0325	0.3601	0.3575
Echinococcus multilocularis	protein dispatched 1	0.005	0.0182	0.0143
Entamoeba histolytica	hypothetical protein	0.0122	0.1083	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0244	0.2601	0.3915
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0227	0.0281
Schistosoma mansoni	hypothetical protein	0.0042	0.0086	0.0127
Entamoeba histolytica	heat shock transcription factor, putative	0.0103	0.0838	0.0354
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0227	0.0338
Onchocerca volvulus		0.0569	0.6643	1
Schistosoma mansoni	voltage-gated potassium channel	0.034	0.3785	0.5626
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0228	0.0343
Plasmodium vivax	ataxin-2 like protein, putative	0.0086	0.0627	1
Echinococcus granulosus	expressed conserved protein	0.0096	0.0752	0.1065
Echinococcus multilocularis	geminin	0.0576	0.6729	0.6716
Brugia malayi	RNA binding protein	0.0076	0.0503	0.0757
Echinococcus granulosus	Niemann Pick C1 protein	0.0102	0.0829	0.118
Brugia malayi	hypothetical protein	0.0055	0.025	0.0376
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0503	0.0748
Loa Loa (eye worm)	hypothetical protein	0.034	0.3785	0.5698
Echinococcus multilocularis	expressed conserved protein	0.0096	0.0752	0.0715
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.034	0.3785	0.56
Entamoeba histolytica	hypothetical protein	0.0122	0.1083	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0503	0.0465
Brugia malayi	MH2 domain containing protein	0.0244	0.2601	0.3915
Schistosoma mansoni	hypothetical protein	0.0576	0.6729	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0227	0.0338
Brugia malayi	Pax transcription factor protein 2	0.0569	0.6643	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0838	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0829	0.1247
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0105	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0503	0.0748
Entamoeba histolytica	hypothetical protein	0.0122	0.1083	1
Schistosoma mansoni	hypothetical protein	0.0576	0.6729	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0503	0.0693
Echinococcus multilocularis	sterol regulatory element binding protein	0.0044	0.0105	0.0066
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0044	0.0105	0.0158
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0503	0.0748
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1081	0.1627
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0203	0.0306
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0122	0.1083	0.1048
Brugia malayi	TAR-binding protein	0.0076	0.0503	0.0757
Wolbachia endosymbiont of Brugia malayi	AICAR transformylase/IMP cyclohydrolase PurH	0.0293	0.3207	1
Schistosoma mansoni	hypothetical protein	0.0038	0.0039	0.0059
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0137	0.127	0.1839
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0137	0.127	0.1235
Brugia malayi	CHE-14 protein	0.0044	0.0105	0.0158
Entamoeba histolytica	heat shock transcription factor, putative	0.0103	0.0838	0.0354
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0227	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0627	0.0945
Echinococcus multilocularis	X box binding protein 1	0.0298	0.327	0.3243
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0203	0.0306
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.034	0.3785	0.5698
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0203	0.0306
Echinococcus multilocularis	Niemann Pick C1 protein	0.0102	0.0829	0.0792
Echinococcus multilocularis	protein patched	0.0044	0.0105	0.0066
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0103	0.0848	0.1261
Trypanosoma cruzi	PAB1-binding protein , putative	0.0086	0.0627	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.034	0.3785	0.5626
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0227	0.0189
Brugia malayi	hypothetical protein	0.0122	0.1083	0.163
Schistosoma mansoni	patched 1	0.0044	0.0105	0.0156
Plasmodium falciparum	ataxin-2 like protein, putative	0.0086	0.0627	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0503	0.0757
Echinococcus multilocularis	Niemann Pick C1 protein	0.0146	0.1373	0.1338
Loa Loa (eye worm)	nuclear hormone receptor	0.012	0.1058	0.1593
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0503	0.0757
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0503	0.0748
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0503	0.0748
Entamoeba histolytica	hypothetical protein	0.0122	0.1083	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0102	0.0829	0.1247
Echinococcus granulosus	Niemann Pick C1 protein	0.0146	0.1373	0.1993
Echinococcus multilocularis	potassium voltage gated channel protein	0.034	0.3785	0.3761
Echinococcus granulosus	sterol regulatory element binding protein	0.0044	0.0105	0.0098
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0503	0.0757
Leishmania major	hypothetical protein, conserved	0.0086	0.0627	1
Echinococcus granulosus	geminin	0.0576	0.6729	1
Schistosoma mansoni	transcription factor LCR-F1	0.0122	0.1083	0.161
Mycobacterium tuberculosis	Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo	0.0293	0.3207	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0086	0.0627	1
Schistosoma mansoni	hypothetical protein	0.0122	0.1083	0.161
Echinococcus granulosus	Protein patched homolog 1	0.0044	0.0105	0.0098
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0227	0.0342
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0203	0.0306
Schistosoma mansoni	hypothetical protein	0.0298	0.327	0.486
Loa Loa (eye worm)	pax transcription factor protein 2	0.0569	0.6643	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0227	0.0342

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)		Inhibition of xanthine oxidase (unknown origin) assessed as conversion of xanthine to uric acid under aerobic condition at 0.5 mM after 1 hr	ChEMBL.	490539
Ki (binding)	= 0.13 uM	Inhibition of IMPCH activity of human wild-type ATIC	ChEMBL.	17324932
Ki (binding)	> 100 uM	Inhibition of human recombinant GAR transformylase	ChEMBL.	17324932
Ki (binding)	> 100 uM	Inhibition of human recombinant AICAR transformylase	ChEMBL.	17324932

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: CHEMBL484860

Bibliographic References

2 literature references were 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 984816