TDR Targets

Basic information

Technical information

TDR Targets ID: 682040
Name: 4-methyl-N-[2-[[4-(4-methylphenyl)-3H-imidazo l-2-yl]sulfanyl]ethyl]benzamide
MW: 351.465 | Formula: C20H21N3OS
H donors: 2 H acceptors: 2 LogP: 4.09 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)C(=O)NCCSc1[nH]cc(n1)c1ccc(cc1)C
InChi: 1S/C20H21N3OS/c1-14-3-7-16(8-4-14)18-13-22-20(23-18)25-12-11-21-19(24)17-9-5-15(2)6-10-17/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChiKey: ZUOCTWWTMDPCDA-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-methyl-N-[2-[[4-(4-methylphenyl)-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
Loa Loa (eye worm)	type I phosphodiesterase/nucleotide pyrophosphatase	0.001	0.0337	0.0337
Trypanosoma cruzi	endonuclease G, putative	0.004	0.2478	1
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.002	0.107	0.2428
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.017	0.017
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0006	0.0037	0.0084
Loa Loa (eye worm)	hypothetical protein	0.001	0.0337	0.0337
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0018	0.0864	0.1962
Trypanosoma cruzi	protein tyrosine phosphatase-like protein, putative	0.0021	0.1083	0.1357
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.002	0.107	0.107
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0066	0.4406	0.4406
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0006	0.0037	0.0084
Echinococcus granulosus	protein tyrosine phosphatase PRL	0.0021	0.1083	0.2459
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0008	0.017	0.0386
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.001	0.0337	0.0765
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0055	0.3646	0.8276
Schistosoma mansoni	hypothetical protein	0.001	0.0337	0.0337
Onchocerca volvulus		0.0066	0.4406	0.4211
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Schistosoma mansoni	hypothetical protein	0.001	0.0337	0.0337
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0021	0.1083	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0816	0.0816
Leishmania major	endonuclease G, putative	0.004	0.2478	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0337	0.0337
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0026	0.1456	0.3306
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.002	0.107	0.2428
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0021	0.1135	0.1135
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.002	0.107	0.107
Echinococcus multilocularis	Endonuclease G	0.004	0.2478	0.5625
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0018	0.0864	0.1962
Echinococcus multilocularis	transferase	0.001	0.0337	0.0765
Loa Loa (eye worm)	hypothetical protein	0.001	0.0337	0.0337
Echinococcus multilocularis	roundabout 2	0.0008	0.017	0.0386
Mycobacterium leprae	hypothetical protein	0.001	0.0337	0.5
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0006	0.0037	0.0037
Schistosoma mansoni	cell adhesion molecule	0.0008	0.017	0.017
Echinococcus granulosus	Endonuclease G	0.004	0.2478	0.5625
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.001	0.0337	0.0337
Echinococcus granulosus	neuroglian	0.0008	0.017	0.0386
Echinococcus multilocularis	gpi ethanolamine phosphate transferase 3	0.001	0.0337	0.0765
Trypanosoma cruzi	protein tyrosine phosphatase PRL	0.0021	0.1083	0.1357
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0018	0.0864	0.1962
Echinococcus multilocularis	ectonucleotide	0.0055	0.3646	0.8276
Echinococcus multilocularis	roundabout 2	0.0008	0.017	0.0386
Echinococcus multilocularis	sortilin receptor	0.0014	0.061	0.1385
Onchocerca volvulus		0.0066	0.4406	0.4211
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0008	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.001	0.0337	0.0337
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.004	0.2478	1
Echinococcus multilocularis	roundabout 2	0.0008	0.017	0.0386
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.004	0.2478	1
Echinococcus granulosus	ectonucleotide	0.0055	0.3646	0.8276
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.001	0.0337	0.0337
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.017	0.017
Echinococcus granulosus	transferase	0.001	0.0337	0.0765
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0881	0.5
Brugia malayi	hypothetical protein	0.001	0.0337	0.0337
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Echinococcus multilocularis	gpi ethanolamine phosphate transferase 1	0.001	0.0337	0.0765
Leishmania major	protein tyrosine phosphatase-likie protein	0.0021	0.1083	0.3485
Schistosoma mansoni	hypothetical protein	0.001	0.0337	0.0337
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.002	0.107	0.107
Schistosoma mansoni	protein tyrosine phosphatase prl	0.0021	0.1083	0.1083
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0026	0.1456	0.1456
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Trypanosoma brucei	endonuclease G, putative	0.004	0.2478	1
Brugia malayi	AEL166Cp	0.001	0.0337	0.0337
Trypanosoma cruzi	protein tyrosine phosphatase-like protein, putative	0.0021	0.1083	0.1357
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.001	0.0337	0.0765
Schistosoma mansoni	protein tyrosine phosphatase prl	0.0021	0.1083	0.1083
Mycobacterium ulcerans	hypothetical protein	0.001	0.0337	0.5
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.004	0.2478	1
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0066	0.4406	0.4406
Trypanosoma brucei	endonuclease G, putative	0.004	0.2478	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.001	0.0337	0.0765
Schistosoma mansoni	hypothetical protein	0.0142	1	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0026	0.1456	0.3306
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0142	1	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Trypanosoma cruzi	protein tyrosine phosphatase, putative	0.0021	0.1083	0.1357
Schistosoma mansoni	neuroglian	0.0008	0.017	0.017
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0006	0.0037	0.0084
Schistosoma mansoni	cell adhesion molecule	0.0008	0.017	0.017
Schistosoma mansoni	hypothetical protein	0.001	0.0337	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0066	0.4406	0.4406
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Echinococcus multilocularis	protein tyrosine phosphatase PRL	0.0021	0.1083	0.2459
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0055	0.3646	0.8276
Brugia malayi	hypothetical protein	0.001	0.0337	0.0337
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.017	0.017
Schistosoma mansoni	nephrin	0.0008	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.0066	0.4406	0.4406
Echinococcus multilocularis	Alkaline phosphatase, core domain	0.001	0.0337	0.0765
Schistosoma mansoni	protein tyrosine phosphatase	0.0006	0.0037	0.0037
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0023	0.124	0.2814
Onchocerca volvulus		0.0018	0.0864	0.0546
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0006	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0055	0.3646	0.3646
Loa Loa (eye worm)	hypothetical protein	0.0066	0.4406	0.4406
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Trypanosoma brucei	phosphatase of regenerating liver-type phosphatase, putative	0.0021	0.1083	0.3485
Trypanosoma cruzi	protein tyrosine phosphatase-like protein, putative	0.0021	0.1083	0.1357
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0026	0.1456	0.3306
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0066	0.4406	0.4406
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0026	0.1456	0.3306
Plasmodium vivax	protein tyrosine phosphatase, putative	0.0021	0.1083	0.5
Onchocerca volvulus		0.0142	1	1
Trypanosoma cruzi	protein tyrosine phosphatase-like protein, putative	0.0021	0.1083	0.1357
Brugia malayi	endonuclease G, mitochondrial precursor	0.004	0.2478	0.2478
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0066	0.4406	0.4406
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0066	0.4406	1
Trypanosoma cruzi	endonuclease G, putative	0.004	0.2478	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.017	0.017
Brugia malayi	Protein-tyrosine phosphatase	0.0006	0.0037	0.0037
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0066	0.4406	0.4406
Echinococcus granulosus	roundabout 2	0.0008	0.017	0.0386
Plasmodium falciparum	protein tyrosine phosphatase	0.0021	0.1083	1
Leishmania major	protein tyrosine phosphatase-like protein	0.0021	0.1083	0.3485
Trypanosoma cruzi	protein tyrosine phosphatase, putative	0.0021	0.1083	0.1357
Trypanosoma cruzi	protein tyrosine phosphatase, putative	0.0021	0.1083	0.1357
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0018	0.0864	0.0864
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0021	0.1135	0.1135
Echinococcus granulosus	roundabout 2	0.0008	0.017	0.0386
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0008	0.017	0.017
Giardia lamblia	Phosphatidylinositol-glycan biosynthesis, class O protein	0.001	0.0337	0.5
Echinococcus granulosus	roundabout 2	0.0008	0.017	0.0386
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.004	0.2478	1
Echinococcus multilocularis	neuroglian	0.0008	0.017	0.0386
Schistosoma mansoni	endonuclease related	0.004	0.2478	0.2478
Echinococcus granulosus	contactin	0.0008	0.017	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0016	0.078	0.078
Trypanosoma brucei	endonuclease G, putative	0.004	0.2478	1
Echinococcus granulosus	gpi ethanolamine phosphate transferase 3	0.001	0.0337	0.0765
Leishmania major	tyrosine specific protein phosphatase, putative	0.0018	0.0864	0.2462

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 682040