TDR Targets

Basic information

Technical information

TDR Targets ID: 682048
Name: 3-fluoro-N-[2-[[4-(4-methoxyphenyl)-3H-imidaz ol-2-yl]sulfanyl]ethyl]benzamide
MW: 371.429 | Formula: C19H18FN3O2S
H donors: 2 H acceptors: 2 LogP: 3.43 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1c[nH]c(n1)SCCNC(=O)c1cccc(c1)F
InChi: 1S/C19H18FN3O2S/c1-25-16-7-5-13(6-8-16)17-12-22-19(23-17)26-10-9-21-18(24)14-3-2-4-15(20)11-14/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,23)
InChiKey: XIXTWDUBNZIUQZ-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

3-fluoro-N-[2-[[4-(4-methoxyphenyl)-3H-imidazol-2-yl]thio]ethyl]benzamide

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	smad1 5 8 and	0.0009	0.0158	0.0062
Schistosoma mansoni	smad	0.0009	0.0158	0.0062
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.4296	0.5938
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0183	0.7254	1
Brugia malayi	MH2 domain containing protein	0.0127	0.4985	0.4985
Brugia malayi	CXXC zinc finger family protein	0.0031	0.1051	0.1051
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.3918	0.5401
Loa Loa (eye worm)	hypothetical protein	0.0031	0.1076	0.1076
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.4296	0.5938
Echinococcus multilocularis	geminin	0.0181	0.7157	0.9864
Schistosoma mansoni	cpg binding protein	0.0032	0.1122	0.1431
Schistosoma mansoni	Smad4	0.0009	0.0158	0.0062
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.3822	0.3822
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0111	0.4296	0.5857
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.1076	0.1076
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2551	0.2551
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0101	0.3918	0.3918
Echinococcus granulosus	smad	0.0009	0.0158	0.0061
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.1076	0.1347
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	0.2396	0.3195
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0158	0.0062
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0183	0.7254	1
Schistosoma mansoni	cpg binding protein	0.0032	0.1122	0.1431
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.019	0.0106
Echinococcus granulosus	Smad4	0.0009	0.0158	0.0061
Echinococcus multilocularis	GPCR, family 2	0.0031	0.1076	0.1347
Schistosoma mansoni	hypothetical protein	0.0031	0.1076	0.1365
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0064	0.2396	0.3195
Toxoplasma gondii	melibiase subfamily protein	0.0111	0.4296	1
Echinococcus granulosus	geminin	0.0181	0.7157	0.9864
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0111	0.4296	0.5857
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	0.2396	0.5071
Echinococcus granulosus	GPCR family 2	0.0031	0.1076	0.1347
Schistosoma mansoni	hypothetical protein	0.0031	0.1076	0.1365
Echinococcus multilocularis	smad	0.0009	0.0158	0.0061
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0158	0.0062
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.1051	0.1051
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.4985	0.4985
Schistosoma mansoni	hypothetical protein	0.0181	0.7157	1
Onchocerca volvulus		0.0031	0.1051	0.5
Echinococcus multilocularis	Smad4	0.0009	0.0158	0.0061
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.2166	0.4474
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.4985	0.4985
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0101	0.3918	0.3918
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.2396	0.5
Brugia malayi	Melibiase family protein	0.0074	0.28	0.28
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0158	0.0061
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0158	0.0061
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0111	0.4296	0.5857
Schistosoma mansoni	hypothetical protein	0.0031	0.1076	0.1365
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.3918	0.5401
Brugia malayi	Smad1	0.0009	0.0158	0.0158
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.2396	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.1076	0.1076
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0101	0.3918	0.5327
Brugia malayi	MH2 domain containing protein	0.0009	0.0158	0.0158
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0074	0.28	0.3813
Loa Loa (eye worm)	Smad1	0.0009	0.0158	0.0158
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0158	0.0158
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.019	0.0106
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0101	0.3918	0.5327
Loa Loa (eye worm)	hypothetical protein	0.0251	1	1
Brugia malayi	MH1 domain containing protein	0.0009	0.0158	0.0158
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.1076	0.1076
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.3918	0.5401
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0101	0.3918	0.5327
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.2396	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.2396	0.3239
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.4296	0.5938
Schistosoma mansoni	hypothetical protein	0.0181	0.7157	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0016	0.0441	0.0463
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0101	0.3918	0.5327
Brugia malayi	MH2 domain containing protein	0.0009	0.0158	0.0158
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.3822	0.3822
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0158	0.0061
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.4296	0.5938
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0158	0.0062
Schistosoma mansoni	hypothetical protein	0.0068	0.2551	0.3459
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.2551	0.2551
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.019	0.019
Echinococcus multilocularis	cpg binding protein	0.0032	0.1122	0.1411
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0074	0.28	0.3813
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0158	0.0061
Schistosoma mansoni	cpg binding protein	0.0031	0.1051	0.133
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0074	0.28	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0064	0.2396	0.5
Loa Loa (eye worm)	hypothetical protein	0.0074	0.28	0.28
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.2448	0.3313
Schistosoma mansoni	hypothetical protein	0.0031	0.1076	0.1365
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0185	0.0185
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.2396	0.3239
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0158	0.0158
Echinococcus granulosus	cpg binding protein	0.0032	0.1122	0.1411
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	0.2396	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.1076	0.1347
Brugia malayi	MH1 domain containing protein	0.0009	0.0158	0.0158

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 682048