TDR Targets

Basic information

Technical information

TDR Targets ID: 682008
Name: 4-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)c1ccc(cc1)F
InChi: 1S/C19H18FN3O2S/c1-25-16-8-4-13(5-9-16)17-12-22-19(23-17)26-11-10-21-18(24)14-2-6-15(20)7-3-14/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChiKey: OCKLXVCWZQWTOC-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

4-fluoro-N-[2-[[4-(4-methoxyphenyl)-3H-imidazol-2-yl]thio]ethyl]benzamide
ZINC04315461

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
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0042	0.005	0.0141
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0042	0.005	0.005
Schistosoma mansoni	nuclear hormone receptor	0.0042	0.005	0.018
Brugia malayi	steroid hormone receptor	0.0042	0.005	0.0141
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0049	0.0137	0.0385
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.013	0.0467
Echinococcus multilocularis	protein dispatched 1	0.0049	0.013	0.013
Echinococcus multilocularis	ecdysone induced protein 78C	0.0042	0.005	0.005
Brugia malayi	photoreceptor-specific nuclear receptor	0.0042	0.005	0.0141
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0042	0.005	0.005
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0049	0.0137	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0035	0.0098
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0041	0.0035	0.0035
Schistosoma mansoni	hypothetical protein	0.0148	0.1359	0.4867
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0137	0.0137
Brugia malayi	Isocitrate dehydrogenase	0.0049	0.0137	0.0385
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0148	0.1359	0.1359
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0042	0.005	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0042	0.005	0.0141
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0042	0.005	0.005
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0042	0.005	0.0141
Schistosoma mansoni	hypothetical protein	0.0106	0.0839	0.3003
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0056	0.0158
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0041	0.0035	0.0098
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0042	0.005	0.0141
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0042	0.005	0.0141
Echinococcus granulosus	geminin	0.0179	0.1739	0.4884
Echinococcus multilocularis	Niemann Pick C1 protein	0.0142	0.1281	0.1281
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0042	0.005	0.0141
Echinococcus granulosus	zinc finger transcription factor gli2	0.0327	0.3562	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0042	0.005	1
Schistosoma mansoni	hypothetical protein	0.0179	0.1739	0.6229
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0042	0.005	0.0141
Brugia malayi	CHE-14 protein	0.0043	0.0056	0.0158
Entamoeba histolytica	hypothetical protein	0.0148	0.1359	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0042	0.005	0.018
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0042	0.005	0.0141
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0137	0.1222	0.1222
Schistosoma mansoni	hypothetical protein	0.0041	0.0035	0.0125
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0042	0.005	0.0141
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0049	0.0137	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.005	0.0141
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0136	0.0382
Entamoeba histolytica	hypothetical protein	0.0148	0.1359	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0042	0.005	0.0141
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0042	0.005	0.0141
Mycobacterium ulcerans	hypothetical protein	0.0038	0	0.5
Mycobacterium leprae	Probable lipase LipE	0.0038	0	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0042	0.005	0.0141
Echinococcus multilocularis	protein patched	0.0043	0.0056	0.0056
Mycobacterium ulcerans	lipase LipD	0.0038	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.013	0.013
Schistosoma mansoni	transcription factor LCR-F1	0.0148	0.1359	0.4867
Schistosoma mansoni	tar DNA-binding protein	0.0264	0.2793	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0155	0.1444	0.4054
Schistosoma mansoni	coup transcription factor	0.0042	0.005	0.018
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0155	0.1444	0.4054
Mycobacterium leprae	conserved hypothetical protein	0.0038	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0264	0.2793	1
Schistosoma mansoni	hypothetical protein	0.0049	0.0136	0.0487
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0049	0.0136	0.0136
Mycobacterium ulcerans	beta-lactamase	0.0038	0	0.5
Onchocerca volvulus	Protein ultraspiracle homolog	0.0042	0.005	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.0755	0.212
Echinococcus multilocularis	expressed conserved protein	0.0093	0.0681	0.0681
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0042	0.005	0.0141
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0264	0.2793	0.784
Schistosoma mansoni	hypothetical protein	0.0041	0.0037	0.0133
Schistosoma mansoni	hypothetical protein	0.0041	0.0037	0.0133
Echinococcus granulosus	ecdysone induced protein 78C	0.0042	0.005	0.0141
Loa Loa (eye worm)	RNA binding protein	0.0264	0.2793	0.784
Loa Loa (eye worm)	hypothetical protein	0.0042	0.005	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0042	0.005	0.0141
Schistosoma mansoni	hypothetical protein	0.0041	0.0037	0.0133
Brugia malayi	MH2 domain containing protein	0.0127	0.1096	0.3076
Schistosoma mansoni	thyroid hormone receptor	0.0042	0.005	0.018
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0137	0.0137
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0042	0.005	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0042	0.005	0.0141
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0049	0.0137	0.0385
Brugia malayi	Zinc finger, C2H2 type family protein	0.0327	0.3562	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0042	0.005	0.0141
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0042	0.005	0.0141
Schistosoma mansoni	patched 1	0.0043	0.0056	0.0201
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0137	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0174	0.049
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0049	0.0137	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0243	0.2529	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0142	0.1281	0.3595
Echinococcus multilocularis	tar DNA binding protein	0.0264	0.2793	0.2793
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.1096	0.3076
Schistosoma mansoni	tar DNA-binding protein	0.0264	0.2793	1
Entamoeba histolytica	hypothetical protein	0.0148	0.1359	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0042	0.005	0.018
Echinococcus multilocularis	FTZ F1 alpha	0.0042	0.005	0.005
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0056	0.0158
Entamoeba histolytica	hypothetical protein	0.0148	0.1359	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0042	0.005	0.005
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0042	0.005	0.018
Loa Loa (eye worm)	hypothetical protein	0.0042	0.005	0.0141
Brugia malayi	ecdysteroid receptor	0.0042	0.005	0.0141
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0137	0.0137
Onchocerca volvulus	Bile acid receptor homolog	0.0042	0.005	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.013	0.0366
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0049	0.0136	0.0382
Schistosoma mansoni	hypothetical protein	0.0049	0.0136	0.0487
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.0755	0.212
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0137	1
Brugia malayi	RNA binding protein	0.0264	0.2793	0.784
Onchocerca volvulus		0.0042	0.005	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0042	0.005	0.0141
Schistosoma mansoni	thyroid hormone receptor	0.0042	0.005	0.018
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0148	0.1359	0.3816
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0042	0.005	0.0141
Toxoplasma gondii	mitochondrial inner membrane translocase subunit TIM17, putative	0.0041	0.0035	0.2542
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0041	0.0035	0.2542
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0137	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.1096	0.3076
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0049	0.0137	0.0491
Schistosoma mansoni	hypothetical protein	0.0049	0.0136	0.0487
Echinococcus multilocularis	GPCR, family 2	0.0049	0.0136	0.0136
Brugia malayi	isocitrate dehydrogenase	0.0049	0.0137	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0977	0.2742
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.013	0.0366
Brugia malayi	TAR-binding protein	0.0264	0.2793	0.784
Loa Loa (eye worm)	nuclear hormone receptor	0.0115	0.0947	0.266
Loa Loa (eye worm)	zinc finger protein	0.0327	0.3562	1
Schistosoma mansoni	hypothetical protein	0.0049	0.0136	0.0487
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0049	0.0137	1
Brugia malayi	hypothetical protein	0.0148	0.1359	0.3816
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0137	0.1222	0.343
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0042	0.005	0.005
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0042	0.005	0.018
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0049	0.0136	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0755	0.212
Echinococcus granulosus	GPCR family 2	0.0049	0.0136	0.0382
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0042	0.005	0.0141
Echinococcus granulosus	FTZ F1 alpha	0.0042	0.005	0.0141
Toxoplasma gondii	isocitrate dehydrogenase	0.0049	0.0137	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0056	0.0056
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0042	0.005	0.0141
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0042	0.005	0.018
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.013	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0056	0.0158
Brugia malayi	nuclear receptor NHR-88	0.0042	0.005	0.0141
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0042	0.005	0.0141
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0056	0.0158
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.013	0.0366
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.013	0.0467
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0042	0.005	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0042	0.005	0.0141
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0042	0.005	0.0141
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0049	0.0137	0.0542
Schistosoma mansoni	tar DNA-binding protein	0.0264	0.2793	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0037	0.0133
Brugia malayi	nuclear hormone receptor	0.0042	0.005	0.0141
Brugia malayi	latrophilin 2 splice variant baaae	0.0106	0.0839	0.2355
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0136	0.0382
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0042	0.005	0.0141
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0041	0.0035	0.0098
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0042	0.005	0.018
Toxoplasma gondii	isocitrate dehydrogenase	0.0049	0.0137	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0049	0.0137	0.0137
Brugia malayi	RNA recognition motif domain containing protein	0.0264	0.2793	0.784
Loa Loa (eye worm)	hypothetical protein	0.0042	0.005	0.0141
Schistosoma mansoni	hypothetical protein	0.0179	0.1739	0.6229
Echinococcus granulosus	tar DNA binding protein	0.0264	0.2793	0.784
Echinococcus granulosus	expressed conserved protein	0.0093	0.0681	0.1912
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.0774	0.2772
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0136	0.0382
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0042	0.005	0.018
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0042	0.005	0.0141
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0327	0.3562	0.3562
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0136	0.0382
Schistosoma mansoni	tar DNA-binding protein	0.0264	0.2793	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0042	0.005	0.005
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0042	0.005	0.018
Echinococcus multilocularis	geminin	0.0179	0.1739	0.1739
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.013	0.0467
Brugia malayi	Nuclear hormone receptor-like 1	0.0042	0.005	0.0141
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0056	1
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0041	0.0035	0.0098
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.013	0.013
Loa Loa (eye worm)	TAR-binding protein	0.0264	0.2793	0.784
Brugia malayi	Steroid receptor seven-up type 2	0.0137	0.1222	0.343
Echinococcus multilocularis	isocitrate dehydrogenase	0.0049	0.0137	0.0137
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0049	0.0136	0.0136
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0155	0.1444	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0155	0.1444	0.4054
Loa Loa (eye worm)	steroid hormone receptor	0.0042	0.005	0.0141
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0042	0.005	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0839	0.2355
Schistosoma mansoni	retinoic acid receptor RXR	0.0042	0.005	0.018
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.0755	0.0755

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 682008