TDR Targets

Basic information

Technical information

TDR Targets ID: 623585
Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfan yl-N-(4-ethoxyphenyl)acetamide
MW: 381.491 | Formula: C21H23N3O2S
H donors: 1 H acceptors: 2 LogP: 4.49 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)NC(=O)CSc1nccn1c1cc(C)cc(c1)C
InChi: 1S/C21H23N3O2S/c1-4-26-19-7-5-17(6-8-19)23-20(25)14-27-21-22-9-10-24(21)18-12-15(2)11-16(3)13-18/h5-13H,4,14H2,1-3H3,(H,23,25)
InChiKey: ZQAKZUNZIUUGMB-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-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-N-(4-ethoxyphenyl)acetamide
2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]-N-(4-ethoxyphenyl)acetamide
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide
EU-0024543
ZINC02723092

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)	carboxylesterase	0.0045	0.0111	0.0385
Treponema pallidum	sodium- and chloride- dependent transporter	0.0089	0.0666	0.5
Onchocerca volvulus		0.0045	0.0111	0.1673
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0118	0.0118
Echinococcus granulosus	carboxylesterase 5A	0.0267	0.2891	0.3302
Echinococcus granulosus	microtubule associated protein 2	0.0735	0.8756	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.0997	0.4077
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0069	0.0404	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0103	0.084	0.2905
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0392	0.0392
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.0851	0.3481
Brugia malayi	Carboxylesterase family protein	0.0045	0.0111	0.0385
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0045	0.0111	0.0111
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0045	0.0111	0.0455
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0392	0.1354
Brugia malayi	Carboxylesterase family protein	0.0045	0.0111	0.0385
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0118	0.0409
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0392	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0267	0.2891	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.0997	0.4077
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0184	0.021
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0111	0.0385
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0392	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0111	0.0385
Loa Loa (eye worm)	carboxylesterase	0.0045	0.0111	0.0385
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.0851	0.3481
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0392	0.0447
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0077	0.0505	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0111	0.0385
Mycobacterium tuberculosis	Probable reductase	0.0104	0.0851	0.3481
Brugia malayi	Thioredoxin reductase	0.0046	0.0118	0.0409
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0111	0.0385
Schistosoma mansoni	hypothetical protein	0.0171	0.1682	0.1921
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0118	0.0135
Mycobacterium ulcerans	carboxylesterase, LipT	0.0045	0.0111	0.2207
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0635
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0103	0.084	0.2905
Echinococcus granulosus	inositol monophosphatase 1	0.0077	0.0505	0.0576
Echinococcus multilocularis	para nitrobenzyl esterase	0.0045	0.0111	0.0111
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0118	1
Echinococcus multilocularis	carboxylesterase 5A	0.0267	0.2891	0.2891
Schistosoma mansoni	acetylcholinesterase	0.0045	0.0111	0.0127
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0045	0.0111	0.0127
Schistosoma mansoni	hypothetical protein	0.0071	0.0431	0.0492
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0089	0.0666	0.076
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.0997	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0089	0.0666	0.2303
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0045	0.0111	0.0127
Echinococcus multilocularis	inositol monophosphatase 1	0.0077	0.0505	0.0505
Echinococcus granulosus	neuroligin	0.0045	0.0111	0.0127
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.0851	0.3481
Onchocerca volvulus		0.0045	0.0111	0.1673
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0045	0.0111	0.0127
Echinococcus multilocularis	neuroligin	0.0045	0.0111	0.0111
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0505	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0392	0.0447
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0118	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0069	0.0404	0.1653
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0505	1
Brugia malayi	Carboxylesterase family protein	0.0267	0.2891	1
Schistosoma mansoni	inositol monophosphatase	0.0077	0.0505	0.0576
Brugia malayi	TAR-binding protein	0.0067	0.0392	0.1354
Trypanosoma brucei	trypanothione reductase	0.0046	0.0118	0.2345
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0505	1
Echinococcus granulosus	BC026374 protein S09 family	0.0045	0.0111	0.0127
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0392	0.0447
Onchocerca volvulus		0.0089	0.0666	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0267	0.2891	0.3302
Leishmania major	trypanothione reductase	0.0046	0.0118	0.2345
Schistosoma mansoni	sodium/chloride dependent transporter	0.0089	0.0666	0.076
Brugia malayi	MH2 domain containing protein	0.0123	0.1085	0.3753
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0077	0.0505	0.5
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.0851	0.8539
Echinococcus multilocularis	tumor protein p63	0.0348	0.3902	0.3902
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.0851	0.3481
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0077	0.0505	1
Echinococcus granulosus	tumor protein p63	0.0348	0.3902	0.4456
Onchocerca volvulus		0.0045	0.0111	0.1673
Brugia malayi	RNA binding protein	0.0067	0.0392	0.1354
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0666	0.2303
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0045	0.0111	0.2207
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0077	0.0505	1
Echinococcus granulosus	serotonin transporter	0.0089	0.0666	0.076
Brugia malayi	hypothetical protein	0.0045	0.0111	0.0385
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0077	0.0505	1
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0118	0.2345
Trichomonas vaginalis	inositol monophosphatase, putative	0.0077	0.0505	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0118	0.0484
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0392	0.1354
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0111	0.0385
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.0997	0.4077
Loa Loa (eye worm)	carboxylesterase	0.0267	0.2891	1
Loa Loa (eye worm)	hypothetical protein	0.0267	0.2891	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0505	1
Brugia malayi	glutathione reductase	0.0046	0.0118	0.0409
Schistosoma mansoni	hypothetical protein	0.0171	0.1682	0.1921
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0392	0.1354
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0111	0.0385
Plasmodium falciparum	glutathione reductase	0.0046	0.0118	0.5
Brugia malayi	Carboxylesterase family protein	0.0045	0.0111	0.0385
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.1085	0.3753
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0392	0.0447
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0431	0.1489
Brugia malayi	Carboxylesterase family protein	0.0045	0.0111	0.0385
Schistosoma mansoni	inositol monophosphatase	0.0077	0.0505	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0431	0.1489
Echinococcus multilocularis	acetylcholinesterase	0.0267	0.2891	0.2891
Echinococcus granulosus	acetylcholinesterase	0.0267	0.2891	0.3302
Onchocerca volvulus		0.0045	0.0111	0.1673
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.2446	1
Echinococcus multilocularis	acetylcholinesterase	0.0267	0.2891	0.2891
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.1085	0.3753
Echinococcus granulosus	geminin	0.0171	0.1682	0.1921
Echinococcus multilocularis	microtubule associated protein 2	0.0735	0.8756	0.8756
Schistosoma mansoni	BC026374 protein (S09 family)	0.0045	0.0111	0.0127
Trichomonas vaginalis	spcc417.12 protein, putative	0.0045	0.0111	0.2207
Brugia malayi	Inositol-1	0.0077	0.0505	0.1745
Loa Loa (eye worm)	norepinephrine transporter	0.0089	0.0666	0.2303
Onchocerca volvulus		0.0051	0.0184	0.276
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0103	0.084	0.2905
Echinococcus multilocularis	serotonin transporter	0.0089	0.0666	0.0666
Echinococcus granulosus	acetylcholinesterase	0.0267	0.2891	0.3302
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0666	0.2303
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0045	0.0111	0.0455
Onchocerca volvulus		0.0045	0.0111	0.1673
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0118	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0045	0.0111	0.0111
Loa Loa (eye worm)	acetylcholinesterase 1	0.0267	0.2891	1
Loa Loa (eye worm)	serotonin transporter b	0.0089	0.0666	0.2303
Loa Loa (eye worm)	inositol-1	0.0077	0.0505	0.1745
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0118	0.0409
Schistosoma mansoni	gliotactin	0.0045	0.0111	0.0127
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.0851	0.3481
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0118	0.2345
Brugia malayi	Carboxylesterase family protein	0.0267	0.2891	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0089	0.0666	0.2303
Schistosoma mansoni	microtubule-associated protein tau	0.0735	0.8756	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0045	0.0111	0.0127
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0045	0.0111	0.0455
Echinococcus multilocularis	geminin	0.0171	0.1682	0.1682
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0111	0.0385
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0103	0.084	0.2905
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0045	0.0111	0.0127
Echinococcus granulosus	para nitrobenzyl esterase	0.0045	0.0111	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0666	0.2303
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0392	0.1354
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0077	0.0505	1

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 623585