TDR Targets

Basic information

Technical information

TDR Targets ID: 877133
Name: 2,2,2-trichloro-N-(1,1-dioxothiolan-3-yl)-N-( 4-methylphenyl)acetamide
MW: 370.679 | Formula: C13H14Cl3NO3S
H donors: 0 H acceptors: 3 LogP: 3.07 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)N(C(=O)C(Cl)(Cl)Cl)C1CCS(=O)(=O)C1
InChi: 1S/C13H14Cl3NO3S/c1-9-2-4-10(5-3-9)17(12(18)13(14,15)16)11-6-7-21(19,20)8-11/h2-5,11H,6-8H2,1H3
InChiKey: FVHHPIDBBGQXGX-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

2,2,2-trichloro-N-(1,1-dioxo-3-thiolanyl)-N-(4-methylphenyl)acetamide
2,2,2-trichloro-N-(1,1-diketothiolan-3-yl)-N-(4-methylphenyl)acetamide
2,2,2-trichloro-N-(1,1-dioxothiolan-3-yl)-N-(4-methylphenyl)ethanamide

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
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Giardia lamblia	High cysteine protein	0.0406	0.0115	0.5
Echinococcus granulosus	Mastin	0.0963	0.4352	0.7273
Echinococcus multilocularis	slit 2 protein	0.0406	0.0115	0.0193
Brugia malayi	Trypsin family protein	0.1623	0.9364	1
Brugia malayi	Fibulin-1 precursor	0.085	0.3491	0.3728
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1623	0.9364	1
Loa Loa (eye worm)	hypothetical protein	0.085	0.3491	0.3728
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.1658	0.9636	0.9632
Brugia malayi	Calcium binding EGF domain containing protein	0.085	0.3491	0.3728
Chlamydia trachomatis	dihydrofolate reductase	0.048	0.0679	0.5
Onchocerca volvulus		0.0406	0.0115	0.0123
Echinococcus multilocularis	neural cadherin	0.0406	0.0115	0.0193
Echinococcus multilocularis	protein jagged 1	0.0406	0.0115	0.0193
Loa Loa (eye worm)	hypothetical protein	0.085	0.3491	0.3728
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.048	0.0679	0.1135
Brugia malayi	EGF-like domain containing protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Onchocerca volvulus	Slit protein homolog	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.085	0.3491	0.3728
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.085	0.3491	0.3728
Echinococcus multilocularis	fibropellin Ia	0.0406	0.0115	0.0193
Toxoplasma gondii	kringle domain-containing protein	0.092	0.4019	0.3949
Schistosoma mansoni	notch	0.0406	0.0115	0.0123
Schistosoma mansoni	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.092	0.4019	0.4292
Brugia malayi	EGF-like domain containing protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Brugia malayi	Calcium binding EGF domain containing protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Mycobacterium tuberculosis	Hypothetical protein	0.056	0.1288	0.1148
Brugia malayi	Muscle positioning protein 4	0.0406	0.0115	0.0123
Echinococcus granulosus	protein jagged 2	0.0406	0.0115	0.0193
Brugia malayi	EGF-like domain containing protein	0.0406	0.0115	0.0123
Onchocerca volvulus		0.0406	0.0115	0.0123
Echinococcus granulosus	delta-like protein 1	0.0406	0.0115	0.0193
Schistosoma mansoni	notch	0.0406	0.0115	0.0123
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.1178	0.5983	1
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Brugia malayi	EGF-like domain containing protein	0.0406	0.0115	0.0123
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0406	0.0115	0.0123
Schistosoma mansoni	hypothetical protein	0.0406	0.0115	0.0123
Echinococcus multilocularis	fibrillin 1	0.085	0.3491	0.5835
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	dihydrofolate reductase	0.048	0.0679	0.0725
Echinococcus granulosus	neurogenic locus notch protein	0.0406	0.0115	0.0193
Brugia malayi	GCC2 and GCC3 family protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	thymidylate synthase	0.1178	0.5983	0.639
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.1658	0.9636	1
Onchocerca volvulus	Arrow homolog	0.085	0.3491	0.3728
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Echinococcus granulosus	laminin	0.085	0.3491	0.5835
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.085	0.3491	0.3728
Brugia malayi	thymidylate synthase	0.1178	0.5983	0.639
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.1658	0.9636	0.5
Brugia malayi	dihydrofolate reductase family protein	0.048	0.0679	0.0725
Echinococcus multilocularis	tissue type plasminogen activator	0.092	0.4019	0.6716
Toxoplasma gondii	calcium binding egf domain-containing protein	0.085	0.3491	0.3415
Echinococcus multilocularis	notch	0.0406	0.0115	0.0193
Loa Loa (eye worm)	hypothetical protein	0.1623	0.9364	1
Onchocerca volvulus		0.0406	0.0115	0.0123
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.1178	0.5983	1
Echinococcus multilocularis	protein jagged 2	0.0406	0.0115	0.0193
Echinococcus granulosus	protein jagged 1	0.0406	0.0115	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1623	0.9364	1
Echinococcus granulosus	neurogenic locus notch protein	0.0406	0.0115	0.0193
Schistosoma mansoni	notch	0.0406	0.0115	0.0123
Schistosoma mansoni	egf-like domain protein	0.085	0.3491	0.3728
Echinococcus granulosus	Tolloid protein 1	0.085	0.3491	0.5835
Brugia malayi	EGF-like domain containing protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0963	0.4352	0.4647
Echinococcus granulosus	glycoprotein Antigen 5	0.0963	0.4352	0.7273
Echinococcus granulosus	protein jagged 2	0.0406	0.0115	0.0193
Echinococcus granulosus	notch	0.0406	0.0115	0.0193
Echinococcus granulosus	slit 2 protein	0.0406	0.0115	0.0193
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.085	0.3491	0.3728
Schistosoma mansoni	dihydrofolate reductase	0.048	0.0679	0.0725
Trichomonas vaginalis	conserved hypothetical protein	0.056	0.1288	0.5
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0406	0.0115	0.0193
Brugia malayi	notch-like transmembrane receptor	0.0406	0.0115	0.0123
Loa Loa (eye worm)	Notch2	0.0406	0.0115	0.0123
Brugia malayi	Cadherin domain containing protein	0.0406	0.0115	0.0123
Onchocerca volvulus		0.092	0.4019	0.4292
Brugia malayi	Dihydrofolate reductase	0.048	0.0679	0.0725
Schistosoma mansoni	hypothetical protein	0.0406	0.0115	0.0123
Echinococcus granulosus	enteropeptidase	0.0963	0.4352	0.7273
Brugia malayi	EGF-like domain containing protein	0.0406	0.0115	0.0123
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0406	0.0115	0.0123
Toxoplasma gondii	PAN domain-containing protein	0.1706	1	1
Echinococcus granulosus	neural cadherin	0.0406	0.0115	0.0193
Loa Loa (eye worm)	TK/ROR protein kinase	0.092	0.4019	0.4292
Echinococcus multilocularis	thymidylate synthase	0.1178	0.5983	1
Onchocerca volvulus	Putative cubilin	0.0406	0.0115	0.0123
Echinococcus granulosus	neurogenic locus notch protein 4	0.0406	0.0115	0.0193
Onchocerca volvulus	Neurogenic locus notch homolog	0.0406	0.0115	0.0123
Echinococcus multilocularis	laminin	0.085	0.3491	0.5835
Echinococcus multilocularis	neurogenic locus notch protein	0.0406	0.0115	0.0193
Echinococcus granulosus	neurogenic locus protein delta	0.0406	0.0115	0.0193
Brugia malayi	Protein kinase domain containing protein	0.092	0.4019	0.4292
Echinococcus granulosus	fibropellin Ia	0.0406	0.0115	0.0193
Schistosoma mansoni	laminin gamma-3 chain	0.0406	0.0115	0.0123
Brugia malayi	Kringle domain containing protein	0.092	0.4019	0.4292
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Brugia malayi	Delta serrate ligand family protein	0.0406	0.0115	0.0123
Echinococcus granulosus	thymidylate synthase	0.1178	0.5983	1
Schistosoma mansoni	notch	0.0406	0.0115	0.0123
Schistosoma mansoni	notch	0.0406	0.0115	0.0123
Schistosoma mansoni	hypothetical protein	0.092	0.4019	0.4292
Brugia malayi	Calcium binding EGF domain containing protein	0.0406	0.0115	0.0123
Brugia malayi	EGF-like domain containing protein	0.0406	0.0115	0.0123
Brugia malayi	Calcium binding EGF domain containing protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	notch protein	0.0406	0.0115	0.0123
Onchocerca volvulus		0.1232	0.6391	0.6825
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.085	0.3491	0.3728
Toxoplasma gondii	calcium binding egf domain-containing protein	0.085	0.3491	0.3415
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.1658	0.9636	1
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Echinococcus granulosus	protein jagged 1	0.0406	0.0115	0.0193
Echinococcus multilocularis	glycoprotein Antigen 5	0.0963	0.4352	0.7273
Onchocerca volvulus		0.1178	0.5983	0.639
Schistosoma mansoni	cell polarity protein	0.0406	0.0115	0.0123
Echinococcus multilocularis	enteropeptidase	0.0963	0.4352	0.7273
Onchocerca volvulus		0.1623	0.9364	1
Schistosoma mansoni	notch	0.0406	0.0115	0.0123
Onchocerca volvulus		0.0406	0.0115	0.0123
Echinococcus multilocularis	protein jagged 1	0.0406	0.0115	0.0193
Echinococcus multilocularis	neurogenic locus notch protein	0.0406	0.0115	0.0193
Onchocerca volvulus		0.0406	0.0115	0.0123
Echinococcus multilocularis	Tolloid protein 1	0.085	0.3491	0.5835
Echinococcus granulosus	dihydrofolate reductase	0.048	0.0679	0.1135
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.1658	0.9636	1
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Echinococcus multilocularis	dihydrofolate reductase	0.048	0.0679	0.1135
Schistosoma mansoni	septate junction protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.085	0.3491	0.3728
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.1178	0.5983	0.639
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0406	0.0115	0.0123
Brugia malayi	hypothetical protein	0.056	0.1288	0.1375
Brugia malayi	Cadherin domain containing protein	0.0406	0.0115	0.0123
Echinococcus multilocularis	neurogenic locus protein delta	0.0406	0.0115	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.085	0.3491	0.3728
Schistosoma mansoni	slit	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0406	0.0115	0.0123
Schistosoma mansoni	hypothetical protein	0.0406	0.0115	0.0123
Schistosoma mansoni	hypothetical protein	0.0406	0.0115	0.0123
Echinococcus multilocularis	Mastin	0.0963	0.4352	0.7273
Echinococcus multilocularis	neurogenic locus protein delta	0.0406	0.0115	0.0193
Mycobacterium ulcerans	thymidylate synthase	0.1178	0.5983	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.1658	0.9636	1
Echinococcus granulosus	tissue type plasminogen activator	0.092	0.4019	0.6716
Schistosoma mansoni	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	hypothetical protein	0.1623	0.9364	1
Schistosoma mansoni	hypothetical protein	0.0406	0.0115	0.0123
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.085	0.3491	0.3728
Trypanosoma cruzi	hypothetical protein, conserved	0.092	0.4019	0.3272
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0406	0.0115	0.0193

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 877133