TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 331.221 | Formula: C12H12Cl2N4OS
H donors: 3 H acceptors: 2 LogP: 3.06 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CNc1scc(n1)CNC(=O)Nc1cccc(c1Cl)Cl
InChi: 1S/C12H12Cl2N4OS/c1-15-12-17-7(6-20-12)5-16-11(19)18-9-4-2-3-8(13)10(9)14/h2-4,6H,5H2,1H3,(H,15,17)(H2,16,18,19)
InChiKey: HRRFQANWWWIOIE-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
Giardia lamblia	CDC72	0.004	0.0419	0.0347
Mycobacterium tuberculosis	Probable 6-phosphogluconate dehydrogenase, decarboxylating Gnd2	0.0696	1	1
Trypanosoma cruzi	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.0696	1	1
Plasmodium vivax	glycylpeptide N-tetradecanoyltransferase, putative	0.004	0.0419	0.0316
Schistosoma mansoni	N-myristoyltransferase	0.004	0.0419	0.0299
Trypanosoma cruzi	NAD binding domain of 6-phosphogluconate dehydrogenase/NAD-binding of NADP-dependent 3-hydroxyisobutyrate dehydrogenase, putativ	0.0085	0.1081	0.0969
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0019	0.0107	0.0107
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0029	0.0264	0.0142
Echinococcus multilocularis	glycylpeptide N tetradecanoyltransferase	0.004	0.0419	0.0419
Leishmania major	dehydrogenase-like protein	0.0085	0.1081	0.0969
Plasmodium vivax	glutamine--fructose-6-phosphate aminotransferase [isomerizing], putative	0.002	0.0124	0.0017
Schistosoma mansoni	transcription initiation factor iia (tfiia) gamma chain	0.0282	0.3944	0.3868
Chlamydia trachomatis	GutQ/KpsF family sugar-phosphate isomerase	0.0277	0.3878	0.3801
Brugia malayi	Choline O-acetyltransferase	0.0068	0.082	0.0705
Trypanosoma cruzi	2-hydroxy-3-oxopropionate reductase, putative	0.0085	0.1081	0.0969
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0029	0.0264	0.0264
Trypanosoma brucei	2-hydroxy-3-oxopropionate reductase, putative	0.0085	0.1081	0.0969
Schistosoma mansoni	6-phosphogluconate dehydrogenase	0.0696	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0309	0.0187
Toxoplasma gondii	6-phosphogluconate dehydrogenase	0.0696	1	1
Mycobacterium tuberculosis	Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase)	0.0199	0.2744	0.1864
Leishmania major	N-myristoyl transferase, putative	0.004	0.0419	0.0299
Onchocerca volvulus		0.0029	0.0264	1
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.007	0.086	0.0745
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.0264	0.0142
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.0264	0.0142
Plasmodium falciparum	glycylpeptide N-tetradecanoyltransferase	0.004	0.0419	0.0347
Toxoplasma gondii	3-hydroxyisobutyrate dehydrogenase	0.0085	0.1081	0.0985
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0131	0.1742	0.1742
Trypanosoma brucei	N-myristoyltransferase	0.004	0.0419	0.0299
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0047	0.0523	0.0523
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0029	0.0264	0.0142
Echinococcus multilocularis	choline O acetyltransferase	0.0068	0.082	0.082
Trichomonas vaginalis	glucosamine-fructose-6-phosphate aminotransferase, putative	0.002	0.0124	0.0017
Loa Loa (eye worm)	acetyltransferase	0.0047	0.0523	0.0404
Loa Loa (eye worm)	choline O-acetyltransferase	0.0068	0.082	0.0705
Mycobacterium tuberculosis	Probable 6-phosphogluconate dehydrogenase Gnd1	0.0696	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.0264	0.0142
Trypanosoma cruzi	N-myristoyl transferase, putative	0.004	0.0419	0.0299
Trichomonas vaginalis	amidophosphoribosyltransferase, putative	0.002	0.0124	0.0017
Plasmodium falciparum	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.0696	1	1
Schistosoma mansoni	CREB-binding protein 2	0.007	0.086	0.0745
Leishmania major	2-hydroxy-3-oxopropionate reductase, putative	0.0085	0.1081	0.0969
Brugia malayi	acetyltransferase, GNAT family protein	0.0047	0.0523	0.0404
Entamoeba histolytica	glucosamine--fructose-6-phosphate aminotransferase, putative	0.002	0.0124	0.1425
Schistosoma mansoni	choline o-acyltransferase	0.0029	0.0264	0.0142
Loa Loa (eye worm)	CBP-B	0.0049	0.0551	0.0433
Onchocerca volvulus		0.0029	0.0264	1
Trypanosoma brucei	N-myristoyl transferase, putative	0.004	0.0419	0.0299
Trichomonas vaginalis	glucosamine-fructose-6-phosphate aminotransferase, putative	0.002	0.0124	0.0017
Giardia lamblia	6-phosphogluconate dehydrogenase, decarboxylating	0.0696	1	1
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0029	0.0264	0.0142
Trypanosoma brucei	Mitochondrial SSU ribosomal protein, putative	0.0085	0.1081	0.0969
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0029	0.0264	0.0142
Toxoplasma gondii	glucosamine-fructose-6-phosphate aminotransferase	0.002	0.0124	0.0017
Echinococcus granulosus	CREB binding protein	0.007	0.086	0.086
Entamoeba histolytica	glycylpeptide N-tetradecanoyltransferase, putative	0.004	0.0419	1
Trichomonas vaginalis	3-hydroxyisobutyrate dehydrogenase, putative	0.0696	1	1
Mycobacterium leprae	PROBABLE NAPHTHOATE SYNTHASE MENB (DIHYDROXYNAPHTHOIC ACID SYNTHETASE) (DHNA SYNTHETASE)	0.0199	0.2744	0.2653
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0029	0.0264	0.0264
Mycobacterium ulcerans	6-phosphogluconate dehydrogenase	0.0696	1	1
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0029	0.0264	0.0142
Echinococcus granulosus	glycylpeptide N tetradecanoyltransferase	0.004	0.0419	0.0419
Trypanosoma cruzi	6-phosphogluconate dehydrogenase, decarboxylating	0.0415	0.589	0.5838
Schistosoma mansoni	choline o-acyltransferase	0.0068	0.082	0.0705
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0131	0.1742	0.1638
Leishmania major	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.0696	1	1
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0029	0.0264	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0068	0.082	0.0705
Plasmodium falciparum	glutamine--fructose-6-phosphate aminotransferase [isomerizing], putative	0.002	0.0124	0.0049
Mycobacterium ulcerans	6-phosphogluconate dehydrogenase	0.0696	1	1
Trypanosoma cruzi	N-myristoyl transferase, putative	0.004	0.0419	0.0299
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0029	0.0264	0.0142
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.0264	0.0142
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0029	0.0264	0.0142
Wolbachia endosymbiont of Brugia malayi	glucosamine 6-phosphate synthetase	0.002	0.0124	0.5
Toxoplasma gondii	phosphogluconate dehydrogenase (decarboxylating), NAD binding domain-containing protein	0.0085	0.1081	0.0985
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0029	0.0264	0.0142
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0029	0.0264	0.0142
Trypanosoma cruzi	2-hydroxy-3-oxopropionate reductase, putative	0.0085	0.1081	0.0969
Treponema pallidum	6-phosphogluconate dehydrogenase	0.0696	1	1
Chlamydia trachomatis	6-phosphogluconate dehydrogenase	0.0696	1	1
Trichomonas vaginalis	6-phosphogluconate dehydrogenase, putative	0.0696	1	1
Onchocerca volvulus		0.0029	0.0264	1
Echinococcus multilocularis	6 phosphogluconate dehydrogenase	0.0696	1	1
Brugia malayi	N-myristoyltransferase 2	0.004	0.0419	0.0299
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.0264	0.0142
Leishmania major	carnitine palmitoyltransferase-like protein	0.0029	0.0264	0.0142
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0026	0.0219	0.0113
Echinococcus granulosus	choline O acetyltransferase	0.0068	0.082	0.082
Mycobacterium ulcerans	naphthoate synthase	0.0199	0.2744	0.2653
Brugia malayi	TAZ zinc finger family protein	0.007	0.086	0.0745
Echinococcus multilocularis	CREB binding protein	0.0049	0.0542	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0204	0.2817	0.2727
Trypanosoma brucei	6-phosphogluconate dehydrogenase, decarboxylating	0.0696	1	1
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0029	0.0264	0.0142
Loa Loa (eye worm)	N-myristoyltransferase 2	0.004	0.0419	0.0299
Echinococcus granulosus	CREB binding protein	0.0044	0.0472	0.0472
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0039	0.0407	0.0407
Trypanosoma cruzi	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.0282	0.3944	0.3868
Echinococcus granulosus	6 phosphogluconate dehydrogenase	0.0696	1	1
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0029	0.0264	0.0142
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0131	0.1742	0.1638
Mycobacterium ulcerans	3-hydroxyisobutyrate dehydrogenase	0.0085	0.1081	0.0969
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0029	0.0264	0.0142
Trypanosoma brucei	hypothetical protein, conserved	0.0029	0.0264	0.0142
Toxoplasma gondii	6-phosphogluconate dehydrogenase	0.0696	1	1
Echinococcus multilocularis	Glutamine:fructose 6 phosphate aminotransferase	0.002	0.0124	0.0124
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0029	0.0264	0.0142
Loa Loa (eye worm)	pgd protein	0.0696	1	1
Trichomonas vaginalis	6-phosphogluconate dehydrogenase, putative	0.0696	1	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0047	0.0523	0.0404
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0204	0.2817	0.2727
Echinococcus granulosus	Glutamine:fructose 6 phosphate aminotransferase	0.002	0.0124	0.0124
Onchocerca volvulus		0.0029	0.0264	1
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0131	0.1742	0.1742
Mycobacterium leprae	PROBABLE 6-PHOSPHOGLUCONATE DEHYDROGENASE GND1	0.0696	1	1
Leishmania major	carnitine/choline acetyltransferase, putative	0.0029	0.0264	0.0142
Trichomonas vaginalis	N-myristoyl transferase, putative	0.004	0.0419	0.0316
Brugia malayi	Choline O-acetyltransferase	0.0068	0.082	0.0705
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0131	0.1742	0.1638
Plasmodium vivax	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.0696	1	1
Trypanosoma cruzi	NAD binding domain of 6-phosphogluconate dehydrogenase/NAD-binding of NADP-dependent 3-hydroxyisobutyrate dehydrogenase, putativ	0.0085	0.1081	0.0969

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

ChEMBL: CHEMBL3490258

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2068898