TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 244.271 | Formula: C8H12N4O3S
H donors: 2 H acceptors: 3 LogP: -0.52 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: C/N=C\1/SC(C(=O)N1C)CC(=O)NC(=O)N
InChi: 1S/C8H12N4O3S/c1-10-8-12(2)6(14)4(16-8)3-5(13)11-7(9)15/h4H,3H2,1-2H3,(H3,9,11,13,15)/b10-8+
InChiKey: YMOCTEYVGBOTDC-CSKARUKUSA-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
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.4437	0.442
Schistosoma mansoni	zinc finger protein	0.0005	0.0091	0.006
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0401	0.0332
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.4625	0.4609
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0216	0.079
Brugia malayi	PHD-finger family protein	0.0005	0.0091	0.001
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.2485	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0081	0.005
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0081	0.005
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0081	0.005
Trichomonas vaginalis	helicase, putative	0.0007	0.0216	0.079
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0216	0.079
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0265	0.0185
Echinococcus granulosus	GPCR family 2	0.0017	0.0935	0.0887
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0081	0.005
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0081	0.005
Schistosoma mansoni	hypothetical protein	0.0017	0.0935	0.0907
Schistosoma mansoni	amine GPCR	0.0005	0.0081	0.005
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0265	0.0185
Brugia malayi	TAR-binding protein	0.0068	0.4625	0.4581
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.2355	0.2292
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.2737	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0216	0.079
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0139	0.9711	1
Echinococcus granulosus	cpg binding protein	0.0033	0.2066	0.2061
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0935	0.0887
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.4625	0.4581
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0935	0.0861
Schistosoma mansoni	hypothetical protein	0.0005	0.0081	0.005
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0935	0.0861
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0081	0.005
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0216	0.079
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0216	0.079
Loa Loa (eye worm)	acetyltransferase	0.0143	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0081	0.005
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.4625	0.4609
Schistosoma mansoni	neuropeptide F-like receptor	0.0005	0.0081	0.005
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0935	0.0861
Onchocerca volvulus		0.0031	0.1939	1
Schistosoma mansoni	hypothetical protein	0.0005	0.0081	0.005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.3578	0.3526
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0265	0.0235
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0005	0.0081	0.005
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0005	0.0081	0.005
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0935	0.0861
Schistosoma mansoni	cpg binding protein	0.0033	0.2066	0.2042
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.4625	0.4581
Schistosoma mansoni	growth hormone secretagogue receptor	0.0005	0.0081	0.005
Brugia malayi	RNA binding protein	0.0068	0.4625	0.4581
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0935	0.0861
Brugia malayi	Bromodomain containing protein	0.0005	0.0091	0.001
Brugia malayi	CXXC zinc finger family protein	0.0031	0.1939	0.1873
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0935	0.0861
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0081	0.005
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0081	0.005
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0005	0.0081	0.005
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.2737	0.2758
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0143	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.3578	0.3526
Schistosoma mansoni	adenoreceptor	0.0005	0.0081	0.005
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.4184	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.4625	0.4581
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0265	0.0191
Schistosoma mansoni	histamine h1 receptor	0.0005	0.0081	0.005
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0935	0.0861
Schistosoma mansoni	amine GPCR	0.0005	0.0081	0.005
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0216	0.079
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.4625	0.4581
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0216	0.079
Loa Loa (eye worm)	RNA binding protein	0.0068	0.4625	0.4581
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0005	0.0081	0.005
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0081	0.005
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.2737	1
Echinococcus multilocularis	zinc finger protein	0.0005	0.0091	0.001
Loa Loa (eye worm)	hypothetical protein	0.0054	0.3578	0.3526
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0005	0.0081	0.005
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0216	0.079
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0081	0.005
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.001
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0216	0.079
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0081	0.005
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2355	0.2292
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0005	0.0091	0.001
Schistosoma mansoni	opsin-like receptor	0.0005	0.0081	0.005
Echinococcus granulosus	zinc finger protein	0.0005	0.0091	0.001
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0216	0.079
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.2737	1
Schistosoma mansoni	amine GPCR	0.0005	0.0081	0.005
Echinococcus granulosus	tar DNA binding protein	0.0068	0.4625	0.4719
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.001
Schistosoma mansoni	opsin-like receptor	0.0005	0.0081	0.005
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0005	0.0081	0.005
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0005	0.0091	0.001
Schistosoma mansoni	neuropeptide F-like receptor	0.0005	0.0081	0.005
Schistosoma mansoni	myosin xvIII	0.0005	0.0081	0.005
Echinococcus multilocularis	cpg binding protein	0.0033	0.2066	0.2001
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0005	0.0081	0.005
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.2485	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0216	0.079
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.4625	0.4609
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0143	1	1
Schistosoma mansoni	cpg binding protein	0.0031	0.1939	0.1914
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0081	0.005
Schistosoma mansoni	amine GPCR	0.0005	0.0081	0.005
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0091	0.006
Schistosoma mansoni	hypothetical protein	0.0017	0.0935	0.0907
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0216	0.079
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.4625	0.4609
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0216	0.079
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0216	0.079
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0401	0.0322
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0005	0.0081	0.005
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0081	0.005
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0005	0.0081	0.005
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0265	0.0191
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0005	0.0081	0.005
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0216	0.079
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0081	0.005
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0081	0.005
Schistosoma mansoni	hypothetical protein	0.0017	0.0935	0.0907
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0081	0.005
Schistosoma mansoni	cpg binding protein	0.0033	0.2066	0.2042
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0081	0.005
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.2485	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0216	0.079
Schistosoma mansoni	opsin-like receptor	0.0005	0.0081	0.005
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0935	0.0887
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.4625	0.4609
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0216	0.079
Schistosoma mansoni	hypothetical protein	0.0017	0.0935	0.0907
Schistosoma mansoni	hypothetical protein	0.0005	0.0081	0.005
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.1939	0.1873
Schistosoma mansoni	hypothetical protein	0.0005	0.0081	0.005
Schistosoma mansoni	neuropeptide f receptor 76f	0.0005	0.0081	0.005
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0401	0.0322
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0005	0.0081	0.005
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0392	0.0313
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0091	0.006
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.3578	0.3526
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0005	0.0081	0.005
Schistosoma mansoni	amine GPCR	0.0005	0.0081	0.005
Schistosoma mansoni	hypothetical protein	0.0037	0.2355	0.2331
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0005	0.0081	0.005
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0081	0.005

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 615871