TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 250.277 | Formula: C10H10N4O2S
H donors: 2 H acceptors: 5 LogP: 0.37 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OCCn1ncc2c1nc(SCC#C)nc2O
InChi: 1S/C10H10N4O2S/c1-2-5-17-10-12-8-7(9(16)13-10)6-11-14(8)3-4-15/h1,6,15H,3-5H2,(H,12,13,16)
InChiKey: AZEAISQCMSHJPU-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
Toxoplasma gondii	LsmAD domain-containing protein	0.0056	0.0289	0.089
Schistosoma mansoni	smad1 5 8 and	0.0059	0.0317	0.0836
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0132	0.1202	0.4042
Plasmodium vivax	ataxin-2 like protein, putative	0.0056	0.0289	1
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0167	0.0167
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.0167	1
Brugia malayi	Smad1	0.0059	0.0317	0.0317
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0038	0.0068	0.3179
Loa Loa (eye worm)	Smad1	0.0059	0.0317	0.0317
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.005	0.0214	0.7134
Toxoplasma gondii	PAN domain-containing protein	0.0302	0.3246	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0418	0.4644	0.4644
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Loa Loa (eye worm)	hypothetical protein	0.0418	0.4644	0.4644
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0026	0.0026
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0026	0.5
Echinococcus granulosus	Smad4	0.0059	0.0317	0.0889
Echinococcus granulosus	tar DNA binding protein	0.0271	0.2874	1
Brugia malayi	MH1 domain containing protein	0.0033	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0026	0.0026
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0059	0.0317	0.0889
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0271	0.2874	0.2874
Plasmodium vivax	casein kinase II beta chain, putative	0.0038	0.0068	0.16
Giardia lamblia	Casein kinase II beta chain	0.0038	0.0068	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0214	0.6588
Loa Loa (eye worm)	TK/ROR protein kinase	0.005	0.0214	0.0214
Schistosoma mansoni	smad1 5 8 and	0.0059	0.0317	0.0836
Echinococcus multilocularis	GPCR, family 2	0.0132	0.1202	0.4042
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.0167	0.5
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0418	0.4644	0.4644
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0026	0.0026
Loa Loa (eye worm)	MH1 domain-containing protein	0.0059	0.0317	0.0317
Schistosoma mansoni	hypothetical protein	0.005	0.0214	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0167	0.0167
Echinococcus multilocularis	tar DNA binding protein	0.0271	0.2874	1
Schistosoma mansoni	smad	0.0059	0.0317	0.0836
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Toxoplasma gondii	kringle domain-containing protein	0.005	0.0214	0.0658
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0046	0.0167	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0167	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0271	0.2874	0.2874
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0046	0.0167	1
Echinococcus multilocularis	Smad4	0.0059	0.0317	0.0889
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0046	0.0167	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0026	0.0026
Brugia malayi	TAR-binding protein	0.0271	0.2874	0.2874
Plasmodium vivax	casein kinase II beta chain, putative	0.0038	0.0068	0.16
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1202	0.1202
Loa Loa (eye worm)	Csnk2b protein	0.0038	0.0068	0.0068
Brugia malayi	MH2 domain containing protein	0.0059	0.0317	0.0317
Schistosoma mansoni	smad1 5 8 and	0.0059	0.0317	0.0836
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0038	0.0068	0.0209
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0167	0.0167
Echinococcus granulosus	GPCR family 2	0.0132	0.1202	0.4042
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0046	0.0167	1
Loa Loa (eye worm)	nuclear factor I	0.0033	0.0001	0.0001
Entamoeba histolytica	acyl-coA synthetase, putative	0.0046	0.0167	1
Brugia malayi	RNA binding protein	0.0271	0.2874	0.2874
Toxoplasma gondii	ck2 beta subunit	0.0038	0.0068	0.0209
Plasmodium falciparum	casein kinase II beta chain	0.0038	0.0068	0.16
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0864	1	1
Leishmania major	hypothetical protein, conserved	0.0056	0.0289	1
Echinococcus multilocularis	smad	0.0059	0.0317	0.0889
Brugia malayi	MH2 domain containing protein	0.0059	0.0317	0.0317
Schistosoma mansoni	hypothetical protein	0.0132	0.1202	0.3803
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0289	0.0289
Onchocerca volvulus		0.005	0.0214	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0271	0.2874	0.9407
Trypanosoma cruzi	PAB1-binding protein , putative	0.0056	0.0289	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0418	0.4644	0.4644
Leishmania major	hypothetical protein, conserved	0.005	0.0214	0.6588
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0132	0.1202	0.1202
Loa Loa (eye worm)	MH2 domain-containing protein	0.0059	0.0317	0.0317
Echinococcus granulosus	tissue type plasminogen activator	0.005	0.0214	0.0519
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Brugia malayi	MH1 domain containing protein	0.0059	0.0317	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0001	0.0001
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0167	1
Brugia malayi	MH1 domain containing protein	0.0059	0.0317	0.0317
Brugia malayi	Latrophilin receptor protein 2	0.0132	0.1202	0.1202
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0132	0.1202	0.4042
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0059	0.0317	0.0836
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0132	0.1202	0.1202
Brugia malayi	MH1 domain containing protein	0.0033	0.0001	0.0001
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0026	0.139
Schistosoma mansoni	tar DNA-binding protein	0.0271	0.2874	0.9407
Echinococcus granulosus	smad	0.0059	0.0317	0.0889
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0167	0.0167
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0132	0.1202	0.4042
Echinococcus multilocularis	tissue type plasminogen activator	0.005	0.0214	0.0519
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0167	0.4471
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.0167	1
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0038	0.0068	0.3179
Schistosoma mansoni	tar DNA-binding protein	0.0271	0.2874	0.9407
Loa Loa (eye worm)	hypothetical protein	0.0286	0.3051	0.3051
Trypanosoma brucei	PAB1-binding protein , putative	0.0056	0.0289	1
Schistosoma mansoni	hypothetical protein	0.0286	0.3051	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0056	0.0289	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0167	1
Brugia malayi	Csnk2b protein	0.0038	0.0068	0.0068
Brugia malayi	Protein kinase domain containing protein	0.005	0.0214	0.0214
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0286	0.3051	0.3051
Schistosoma mansoni	tar DNA-binding protein	0.0271	0.2874	0.9407
Schistosoma mansoni	hypothetical protein	0.0132	0.1202	0.3803
Schistosoma mansoni	tar DNA-binding protein	0.0271	0.2874	0.9407
Mycobacterium ulcerans	hypothetical protein	0.0046	0.0167	1
Schistosoma mansoni	hypothetical protein	0.0132	0.1202	0.3803
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0132	0.1202	0.4042
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0046	0.0167	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0214	0.0214
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0167	0.4471
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0046	0.0167	1
Schistosoma mansoni	hypothetical protein	0.0132	0.1202	0.3803
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0167	0.4471
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0026	0.0026
Trypanosoma cruzi	PAB1-binding protein , putative	0.0056	0.0289	1
Brugia malayi	Kringle domain containing protein	0.005	0.0214	0.0214
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0059	0.0317	0.0889
Onchocerca volvulus		0.0046	0.0167	0.7808
Schistosoma mansoni	Smad4	0.0059	0.0317	0.0836
Toxoplasma gondii	PAN domain-containing protein	0.0302	0.3246	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.0167	0.5
Echinococcus granulosus	mothers against decapentaplegic 5	0.0059	0.0317	0.0889
Loa Loa (eye worm)	RNA binding protein	0.0271	0.2874	0.2874
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0059	0.0317	0.0889
Plasmodium falciparum	casein kinase II beta chain	0.0038	0.0068	0.16
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0167	0.0167
Plasmodium falciparum	cysteine repeat modular protein 1	0.005	0.0214	0.7134
Plasmodium falciparum	ataxin-2 like protein, putative	0.0056	0.0289	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0038	0.0068	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0864	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0167	0.0167
Brugia malayi	RNA recognition motif domain containing protein	0.0271	0.2874	0.2874
Brugia malayi	hypothetical protein	0.0056	0.0289	0.0289
Brugia malayi	hypothetical protein	0.0036	0.0048	0.0048

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 688027