TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 280.386 | Formula: C14H20N2O2S
H donors: 1 H acceptors: 2 LogP: 3.78 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCS/C(=N\O)/C(=O)c1ccccc1)CC
InChi: 1S/C14H20N2O2S/c1-3-16(4-2)10-11-19-14(15-18)13(17)12-8-6-5-7-9-12/h5-9,18H,3-4,10-11H2,1-2H3/b15-14-
InChiKey: IFHYNZRPBHQGGH-PFONDFGASA-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
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.078	0.1728
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.4134	0.4134
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.1893	0.1893
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.1485	0.1485
Echinococcus multilocularis	expressed conserved protein	0.0092	0.379	0.379
Echinococcus granulosus	bloom syndrome protein	0.0024	0.0645	0.0645
Echinococcus multilocularis	bloom syndrome protein	0.0024	0.0645	0.0645
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0703	0.1458
Trichomonas vaginalis	phosphofructokinase, putative	0.0062	0.2371	0.2267
Plasmodium vivax	6-phosphofructokinase, putative	0.0062	0.2371	0.7337
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.1893	0.1893
Brugia malayi	hypothetical protein	0.0016	0.0293	0.0293
Schistosoma mansoni	hypothetical protein	0.0017	0.0313	0.0313
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0313	0.0313
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0228	1	1
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0512	0.1637
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0703	0.0577
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0098	0.4064	0.4064
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0078	0.3126	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0065	0.0065
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0703	0.2249
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0703	0.2249
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0078	0.3126	0.3126
Brugia malayi	Bloom's syndrome protein homolog	0.0024	0.0645	0.0645
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0313	0.0313
Leishmania major	ATP-dependent phosphofructokinase	0.0228	1	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.3126	1
Loa Loa (eye worm)	RecQ helicase	0.0024	0.0645	0.0645
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0313	0.0313
Trichomonas vaginalis	phosphofructokinase, putative	0.0228	1	1
Brugia malayi	hypothetical protein	0.0025	0.0703	0.0703
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1645	0.1645
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.4064	0.4064
Entamoeba histolytica	phosphofructokinase, putative	0.0228	1	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0228	1	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0141	0.6002	0.6002
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.1893	0.1207
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.1485	0.1485
Trichomonas vaginalis	phosphofructokinase, putative	0.0228	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0062	0.2371	0.2267
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0062	0.2371	0.7584
Schistosoma mansoni	6-phosphofructokinase	0.0228	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1202	0.1202
Brugia malayi	CHE-14 protein	0.0042	0.1485	0.1485
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0703	0.0577
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.4064	0.4064
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1645	0.1645
Loa Loa (eye worm)	6-phosphofructokinase	0.0228	1	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0078	0.3126	1
Mycobacterium ulcerans	6-phosphofructokinase	0.0228	1	1
Echinococcus granulosus	expressed conserved protein	0.0092	0.379	0.379
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0313	0.0313
Entamoeba histolytica	phosphofructokinase, putative	0.0228	1	1
Brugia malayi	Probable ClpP-like protease	0.0078	0.3126	0.3126
Leishmania major	hypothetical protein, conserved	0.0025	0.0703	0.0577
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.4064	0.4064
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0313	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0313	0.0313
Schistosoma mansoni	hypothetical protein	0.0017	0.0313	0.0313
Schistosoma mansoni	hypothetical protein	0.0017	0.0313	0.0313
Toxoplasma gondii	phosphofructokinase PFKII	0.0062	0.2371	0.7584
Plasmodium vivax	6-phosphofructokinase, putative	0.0062	0.2371	0.7337
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1645	0.1645
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1645	0.1645
Brugia malayi	6-phosphofructokinase	0.0228	1	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0078	0.3126	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.1968	0.1968
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.1968	0.1968
Echinococcus granulosus	6 phosphofructokinase	0.0228	1	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0313	0.0313
Schistosoma mansoni	hypothetical protein	0.0041	0.1415	0.1415
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0703	0.0577
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0062	0.2371	0.7584
Schistosoma mansoni	hypothetical protein	0.0041	0.1415	0.1415
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.3126	1
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0062	0.2371	0.7584
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.1202	0.1202
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1645	0.1645
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.1485	0.137
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1968	0.1968
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0078	0.3126	0.2545
Trichomonas vaginalis	phosphofructokinase, putative	0.0228	1	1
Brugia malayi	6-phosphofructokinase	0.0228	1	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.3126	1
Echinococcus multilocularis	protein patched	0.0042	0.1485	0.1485
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0062	0.2371	0.2267
Schistosoma mansoni	hypothetical protein	0.0041	0.1415	0.1415
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0228	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0313	0.0313
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0098	0.4064	0.3983
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0065	0.0065
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1645	0.1645
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.078	0.2494
Echinococcus granulosus	GPCR family 2	0.0017	0.0313	0.0313
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0703	0.2249
Trichomonas vaginalis	phosphofructokinase, putative	0.0062	0.2371	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1485	0.1485
Trichomonas vaginalis	DNA helicase recq1, putative	0.0024	0.0645	0.0519
Schistosoma mansoni	hypothetical protein	0.0041	0.1415	0.1415
Schistosoma mansoni	peptidase Clp (S14 family)	0.0078	0.3126	0.3126
Loa Loa (eye worm)	hypothetical protein	0.0078	0.3126	0.3126
Schistosoma mansoni	hypothetical protein	0.0017	0.0313	0.0313
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1645	0.1645
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0062	0.2371	0.2267
Trichomonas vaginalis	phosphofructokinase, putative	0.0062	0.2371	0.2267
Toxoplasma gondii	hypothetical protein	0.0027	0.078	0.2494
Schistosoma mansoni	patched 1	0.0042	0.1485	0.1485
Echinococcus multilocularis	6 phosphofructokinase	0.0228	1	1
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0228	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0062	0.2371	0.2267
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.1485	0.1485
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0062	0.2371	0.1725
Trichomonas vaginalis	phosphofructokinase, putative	0.0062	0.2371	0.2267
Loa Loa (eye worm)	6-phosphofructokinase	0.0228	1	1
Schistosoma mansoni	hypothetical protein	0.0036	0.1202	0.1202
Trichomonas vaginalis	phosphofructokinase, putative	0.0228	1	1
Schistosoma mansoni	hypothetical protein	0.0011	0.0065	0.0065
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0078	0.3126	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.1968	0.1968
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.1485	0.1485
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1645	0.1645
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0228	1	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.5077	0.5077
Echinococcus granulosus	Niemann Pick C1 protein	0.0141	0.6002	0.6002
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.3126	0.2545
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.0645	0.0519
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0062	0.2371	1
Entamoeba histolytica	phosphofructokinase, putative	0.0228	1	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0281	0.0898
Loa Loa (eye worm)	phosphofructokinase	0.0228	1	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.0414	0.0414
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1645	0.1645
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0703	0.0703
Echinococcus multilocularis	protein dispatched 1	0.0048	0.1759	0.1759
Schistosoma mansoni	6-phosphofructokinase	0.0228	1	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0078	0.3126	0.3126
Toxoplasma gondii	6-phosphofructokinase	0.0062	0.2371	0.7584
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1921	0.1921

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: CHEMBL1196214

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 1169018