TDR Targets

Basic information

Technical information

TDR Targets ID: 681770
Name: 2-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)c1ccccc1F
InChi: 1S/C19H18FN3O2S/c1-25-14-8-6-13(7-9-14)17-12-22-19(23-17)26-11-10-21-18(24)15-4-2-3-5-16(15)20/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChiKey: ILPMSMBMTUHNEI-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-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
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0147	0.1353	0.161
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0099	0.0745	0.2011
Echinococcus multilocularis	expressed conserved protein	0.0092	0.0667	0.0628
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0053	0.018	0.0139
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.0741	0.2
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0049	0.0122	0.0122
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0049	0.0121	0.0098
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0154	0.1431	0.3861
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0121	0.0325
Schistosoma mansoni	coup transcription factor	0.0053	0.018	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0052	0.0031
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0053	0.018	0.0484
Schistosoma mansoni	thyroid hormone receptor	0.0053	0.018	0.0193
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0745	0.0707
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0053	0.018	0.0484
Schistosoma mansoni	tar DNA-binding protein	0.0336	0.3706	0.451
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0122	0.0081
Schistosoma mansoni	hypothetical protein	0.0043	0.0052	0.0037
Loa Loa (eye worm)	zinc finger protein	0.0324	0.3551	0.9579
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0745	0.0885
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0053	0.018	0.0379
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0049	0.0121	0.008
Echinococcus granulosus	zinc finger transcription factor gli2	0.0324	0.3551	0.4308
Brugia malayi	Steroid receptor seven-up type 2	0.0147	0.1353	0.3651
Brugia malayi	TAR-binding protein	0.0336	0.3706	1
Entamoeba histolytica	hypothetical protein	0.0149	0.1375	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0053	0.018	0.0379
Schistosoma mansoni	hypothetical protein	0.0177	0.1726	0.2087
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0043	0.0052	0.0141
Echinococcus granulosus	tar DNA binding protein	0.0336	0.3706	0.4497
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0745	0.0864
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0154	0.1431	0.3861
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0049	0.0122	0.5
Echinococcus multilocularis	isocitrate dehydrogenase	0.0049	0.0122	0.0081
Brugia malayi	isocitrate dehydrogenase	0.0049	0.0122	0.0328
Echinococcus granulosus	Niemann Pick C1 protein	0.0141	0.1267	0.1505
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0053	0.018	0.017
Brugia malayi	ecdysteroid receptor	0.0053	0.018	0.0484
Schistosoma mansoni	nuclear hormone receptor	0.0053	0.018	0.0193
Loa Loa (eye worm)	RNA binding protein	0.0336	0.3706	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0041	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0053	0.018	0.0193
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0149	0.1375	0.134
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0049	0.0121	0.008
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0053	0.018	0.017
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.0741	0.0859
Echinococcus multilocularis	FTZ F1 alpha	0.0053	0.018	0.0139
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.076	0.0904
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0049	0.0122	0.0221
Schistosoma mansoni	transcription factor LCR-F1	0.0149	0.1375	0.1657
Loa Loa (eye worm)	transcription factor SMAD2	0.0258	0.2727	0.7329
Schistosoma mansoni	hypothetical protein	0.0049	0.0121	0.0121
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0053	0.018	0.0193
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0049	0.0122	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0696	0.819	1
Brugia malayi	CHE-14 protein	0.0042	0.0041	0.011
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0745	0.0707
Schistosoma mansoni	tar DNA-binding protein	0.0336	0.3706	0.451
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0053	0.018	0.0379
Echinococcus granulosus	expressed conserved protein	0.0092	0.0667	0.0768
Brugia malayi	photoreceptor-specific nuclear receptor	0.0053	0.018	0.0484
Schistosoma mansoni	hypothetical protein	0.0049	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0824	0.2138
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0053	0.018	0.017
Schistosoma mansoni	patched 1	0.0042	0.0041	0.0023
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0049	0.0122	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0053	0.018	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0053	0.018	0.0379
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0053	0.018	0.0139
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0241	0.2517	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.018	0.0379
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0121	0.0325
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0053	0.018	0.017
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0324	0.3551	0.3525
Loa Loa (eye worm)	steroid hormone receptor	0.0053	0.018	0.0379
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0121	0.0218
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0049	0.0122	0.0099
Echinococcus multilocularis	tar DNA binding protein	0.0336	0.3706	0.368
Schistosoma mansoni	hypothetical protein	0.0049	0.0121	0.0121
Schistosoma mansoni	tar DNA-binding protein	0.0336	0.3706	0.451
Loa Loa (eye worm)	hypothetical protein	0.0053	0.018	0.0379
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0053	0.018	0.5
Schistosoma mansoni	hypothetical protein	0.0105	0.0824	0.0983
Brugia malayi	nuclear receptor NHR-88	0.0053	0.018	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0741	0.1911
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0053	0.018	0.0484
Loa Loa (eye worm)	MH2 domain-containing protein	0.0258	0.2727	0.7329
Echinococcus multilocularis	microtubule associated protein 2	0.0696	0.819	0.8183
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0049	0.0121	0.0098
Echinococcus multilocularis	geminin	0.0177	0.1726	0.1692
Schistosoma mansoni	tar DNA-binding protein	0.0336	0.3706	0.451
Brugia malayi	Zinc finger, C2H2 type family protein	0.0324	0.3551	0.9584
Brugia malayi	Nuclear hormone receptor-like 1	0.0053	0.018	0.0484
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0053	0.018	0.0379
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0053	0.018	0.0193
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0122	0.0081
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0053	0.018	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1039	0.2724
Loa Loa (eye worm)	TAR-binding protein	0.0336	0.3706	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0105	0.0824	0.2225
Brugia malayi	hypothetical protein	0.0149	0.1375	0.371
Loa Loa (eye worm)	hypothetical protein	0.0053	0.018	0.0379
Schistosoma mansoni	hypothetical protein	0.0177	0.1726	0.2087
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0053	0.018	0.0139
Brugia malayi	RNA recognition motif domain containing protein	0.0336	0.3706	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0053	0.018	0.5
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0043	0.0052	0.0012
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0122	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0053	0.018	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1431	0.3793
Toxoplasma gondii	isocitrate dehydrogenase	0.0049	0.0122	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0053	0.018	0.017
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0053	0.018	0.0484
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0122	0.5
Loa Loa (eye worm)	nuclear hormone receptor	0.0119	0.1001	0.2621
Echinococcus granulosus	ecdysone induced protein 78C	0.0053	0.018	0.017
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0053	0.018	0.0193
Schistosoma mansoni	RAR-like nuclear receptor	0.0053	0.018	0.0193
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0115	0.0075
Schistosoma mansoni	hypothetical protein	0.0049	0.0121	0.0121
Schistosoma mansoni	hypothetical protein	0.0149	0.1375	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0053	0.018	0.0379
Echinococcus granulosus	geminin	0.0177	0.1726	0.2068
Brugia malayi	RNA binding protein	0.0336	0.3706	1
Echinococcus granulosus	microtubule associated protein 2	0.0696	0.819	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0053	0.018	0.0193
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0053	0.018	0.0484
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0053	0.018	0.0379
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0053	0.018	0.0484
Toxoplasma gondii	isocitrate dehydrogenase	0.0049	0.0122	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0053	0.018	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0159	0.0323
Entamoeba histolytica	hypothetical protein	0.0149	0.1375	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0053	0.018	0.0139
Onchocerca volvulus		0.0053	0.018	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0121	0.0218
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0147	0.1353	0.1317
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0053	0.018	0.0484
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0154	0.1431	0.3793
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0043	0.0052	0.0141
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0053	0.018	0.0193
Entamoeba histolytica	hypothetical protein	0.0149	0.1375	1
Echinococcus granulosus	GPCR family 2	0.0049	0.0121	0.0098
Echinococcus granulosus	FTZ F1 alpha	0.0053	0.018	0.017
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0099	0.0745	0.1922
Loa Loa (eye worm)	hypothetical protein	0.0053	0.018	0.0379
Brugia malayi	nuclear hormone receptor	0.0053	0.018	0.0484
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0053	0.018	0.0379
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0053	0.018	0.0193
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.0741	0.0703
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0053	0.018	0.0484
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0053	0.018	0.0484
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0745	0.0885
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0053	0.018	0.0193
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0053	0.018	0.0379
Onchocerca volvulus	Bile acid receptor homolog	0.0053	0.018	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0053	0.018	0.0139
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0336	0.3706	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0053	0.018	0.017
Echinococcus multilocularis	GPCR, family 2	0.0049	0.0121	0.008
Brugia malayi	MH2 domain containing protein	0.0258	0.2727	0.7358
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0053	0.018	0.0484
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0149	0.1375	0.1637
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0122	0.5
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0049	0.0122	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0745	0.0864
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0043	0.0052	0.0141
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0053	0.018	0.0139
Brugia malayi	steroid hormone receptor	0.0053	0.018	0.0484
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0745	0.0885
Entamoeba histolytica	hypothetical protein	0.0149	0.1375	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0053	0.018	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0053	0.018	0.0379
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0049	0.0122	0.0081
Echinococcus multilocularis	Niemann Pick C1 protein	0.0141	0.1267	0.1232
Brugia malayi	Isocitrate dehydrogenase	0.0049	0.0122	0.0328
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0053	0.018	0.0484
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0122	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0336	0.3706	0.451

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 681770