TDR Targets

Basic information

Technical information

TDR Targets ID: 889231
Name: 1-[(3-chloro-4-fluorophenyl)methyl]-3-(4-dime thylaminophenyl)thiourea
MW: 337.843 | Formula: C16H17ClFN3S
H donors: 2 H acceptors: 0 LogP: 3.87 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: S=C(Nc1ccc(cc1)N(C)C)NCc1ccc(c(c1)Cl)F
InChi: 1S/C16H17ClFN3S/c1-21(2)13-6-4-12(5-7-13)20-16(22)19-10-11-3-8-15(18)14(17)9-11/h3-9H,10H2,1-2H3,(H2,19,20,22)
InChiKey: BONWJXHYWVFDQS-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

1-[(3-chloro-4-fluoro-phenyl)methyl]-3-(4-dimethylaminophenyl)thiourea
1-(3-chloro-4-fluoro-benzyl)-3-(4-dimethylaminophenyl)thiourea

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
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3081	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0114	0.013
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0051	0.0061	0.5
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0051	0.0061	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3081	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0115	0.0059
Echinococcus granulosus	jun protein	0.0086	0.0455	0.0455
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3081	1
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0051	0.0061	0.5
Brugia malayi	bZIP transcription factor family protein	0.0086	0.0455	0.0902
Brugia malayi	hypothetical protein	0.0051	0.0061	0.0011
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0114	0.0058
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0051	0.0061	0.5
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0051	0.0061	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Schistosoma mansoni	lipoxygenase	0.0085	0.0438	0.0379
Trypanosoma brucei	aminopeptidase, putative	0.0051	0.0061	0.5
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0051	0.0061	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0086	0.0455	0.0455
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0051	0.0061	0.5
Brugia malayi	Peptidase family M1 containing protein	0.0051	0.0061	0.0011
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0158	0.1251	1
Loa Loa (eye worm)	hypothetical protein	0.045	0.4478	0.4447
Giardia lamblia	Fructose-bisphosphate aldolase	0.0324	0.3081	0.5
Trypanosoma brucei	Aminopeptidase M1, putative	0.0051	0.0061	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0061	0.0005
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0051	0.0061	0.5
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0051	0.0061	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3081	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0324	0.3081	0.5
Brugia malayi	hypothetical protein	0.0051	0.0061	0.0011
Brugia malayi	jmjC domain containing protein	0.0106	0.0672	0.1393
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0061	0.0005
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0086	0.0455	0.0455
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0051	0.0061	0.5
Echinococcus granulosus	aminopeptidase N	0.0051	0.0061	0.0061
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0158	0.1251	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3081	1
Echinococcus multilocularis	aminopeptidase N	0.0051	0.0061	0.0061
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0114	0.013
Loa Loa (eye worm)	aminopeptidase N	0.0051	0.0061	0.0005
Schistosoma mansoni	hypothetical protein	0.007	0.0277	0.0217
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0114	0.0058
Brugia malayi	Dopamine receptor protein 1	0.045	0.4478	1
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0051	0.0061	0.5
Brugia malayi	TATA binding protein associated factor	0.0051	0.0061	0.0011
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0051	0.0061	0.5
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0121	0.084	0.084
Trypanosoma cruzi	aminopeptidase, putative	0.0051	0.0061	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0067	0.024	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0429	0.0375
Toxoplasma gondii	aminopeptidase N protein	0.0051	0.0061	0.5
Schistosoma mansoni	hypothetical protein	0.0188	0.1578	0.1526
Toxoplasma gondii	aminopeptidase N, putative	0.0051	0.0061	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3081	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0324	0.3081	1
Onchocerca volvulus		0.0068	0.0251	1
Schistosoma mansoni	jumonji domain containing protein	0.0084	0.0432	0.0373
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Loa Loa (eye worm)	TATA binding protein associated factor	0.0051	0.0061	0.0005
Brugia malayi	Peptidase family M1 containing protein	0.0051	0.0061	0.0011
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0951	1	1
Brugia malayi	hypothetical protein	0.0437	0.4329	0.9664
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0051	0.0061	0.5
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0951	1	1
Schistosoma mansoni	lipoxygenase	0.0121	0.084	0.0784
Echinococcus granulosus	geminin	0.0188	0.1578	0.1578
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0051	0.0061	0.5
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0051	0.0061	0.5
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0106	0.0672	0.0672
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0121	0.084	0.084
Toxoplasma gondii	aminopeptidase n, putative	0.0051	0.0061	0.5
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0951	1	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0061	0.0005
Trypanosoma cruzi	aminopeptidase, putative	0.0051	0.0061	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Schistosoma mansoni	jun-related protein	0.007	0.0277	0.0217
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3081	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Echinococcus multilocularis	geminin	0.0188	0.1578	0.1578
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0051	0.0061	0.0061
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3081	1
Brugia malayi	hypothetical protein	0.0068	0.0251	0.044
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0324	0.3081	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0106	0.0672	0.0672
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0158	0.1251	0.5
Echinococcus multilocularis	jun protein	0.0086	0.0455	0.0455
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0051	0.0061	0.0061
Schistosoma mansoni	hypothetical protein	0.0188	0.1578	0.1526
Brugia malayi	Peptidase family M1 containing protein	0.0051	0.0061	0.0011
Trypanosoma brucei	Aminopeptidase M1, putative	0.0051	0.0061	0.5
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0051	0.0061	0.0005

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 889231