TDR Targets

Basic information

Technical information

TDR Targets ID: 420750
Name: 5,6-dichloro-1-methyl-2-methylsulfanylbenzimi dazole
MW: 247.144 | Formula: C9H8Cl2N2S
H donors: 0 H acceptors: 1 LogP: 3.54 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CSc1nc2c(n1C)cc(c(c2)Cl)Cl
InChi: 1S/C9H8Cl2N2S/c1-13-8-4-6(11)5(10)3-7(8)12-9(13)14-2/h3-4H,1-2H3
InChiKey: AVTMPBGZZKTKJC-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

5,6-dichloro-1-methyl-2-methylsulfanyl-benzimidazole
5,6-dichloro-1-methyl-2-(methylthio)benzimidazole

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	hydrolase	0.0048	0.0099	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0099	0.0949
Treponema pallidum	ribonuclease Z	0.0048	0.0099	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0048	0.0099	0.0949
Giardia lamblia	Prenyltransferase	0.0111	0.1044	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0099	0.0949
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.0111	0.1044	1
Trichomonas vaginalis	beta lactamase domain, putative	0.0048	0.0099	0.0949
Trichomonas vaginalis	beta lactamase domain, putative	0.0048	0.0099	0.0949
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0142	0.1516	0.1431
Loa Loa (eye worm)	acetyltransferase	0.0142	0.1516	0.1431
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0111	0.1044	1
Mycobacterium leprae	Beta-lactamase-like protein	0.0048	0.0099	0.5
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0111	0.1044	0.853
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0048	0.0099	0.0949
Trichomonas vaginalis	beta lactamase domain, putative	0.0048	0.0099	0.0949
Echinococcus granulosus	hydroxyacylglutathione hydrolase	0.0048	0.0099	0.0099
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0099	0.5
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0081	0.0589	0.5647
Plasmodium vivax	hydroxyacyl glutathione hydrolase, putative	0.0048	0.0099	0.0949
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0142	0.1516	0.1431
Loa Loa (eye worm)	hypothetical protein	0.0373	0.5015	0.4965
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0099	0.0949
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0111	0.1044	1
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0048	0.0099	0.0099
Toxoplasma gondii	hydroxyacylglutathione hydrolase	0.0048	0.0099	0.0949
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0099	0.5
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.0111	0.1044	1
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0099	0.5
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.0111	0.1044	1
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0111	0.1044	0.0954
Trichomonas vaginalis	A-type flavoprotein	0.0048	0.0099	0.0949
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0099	0.5
Loa Loa (eye worm)	hypothetical protein	0.0703	1	1
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0111	0.1044	1
Mycobacterium ulcerans	glyoxalase II, GloB	0.0048	0.0099	0.5
Toxoplasma gondii	metallo-beta-lactamase domain-containing protein	0.0048	0.0099	0.0949
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.0111	0.1044	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0142	0.1516	0.1431
Trichomonas vaginalis	beta lactamase domain, putative	0.0048	0.0099	0.0949
Trypanosoma cruzi	lanosterol synthase, putative	0.0122	0.1207	1
Plasmodium vivax	unspecified product	0.0048	0.0099	0.0949
Trypanosoma cruzi	lanosterol synthase, putative	0.0122	0.1207	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0099	0.0949
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0184	0.215	0.2071
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.0111	0.1044	0.0954
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0048	0.0099	0.0949
Onchocerca volvulus	Hydroxyacylglutathione hydrolase, mitochondrial homolog	0.0048	0.0099	0.5
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0048	0.0099	0.0099
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0111	0.1044	1
Leishmania major	lanosterol synthase, putative	0.0092	0.0752	0.6913
Mycobacterium leprae	conserved hypothetical protein	0.0048	0.0099	0.5
Mycobacterium ulcerans	hydrolase	0.0048	0.0099	0.5
Onchocerca volvulus	Putative hydrolase PNKD	0.0048	0.0099	0.5
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0111	0.1044	0.0954
Trichomonas vaginalis	beta lactamase domain, putative	0.0048	0.0099	0.0949
Mycobacterium ulcerans	Zn-dependent glyoxylase	0.0048	0.0099	0.5
Mycobacterium ulcerans	beta lactamase-like protein	0.0048	0.0099	0.5
Trypanosoma brucei	lanosterol synthase	0.0122	0.1207	1
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.0111	0.1044	0.1044
Schistosoma mansoni	peptidylglycine monooxygenase	0.0373	0.5015	0.4965
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0122	0.1207	1
Leishmania major	farnesyltransferase beta subunit	0.0111	0.1044	1
Onchocerca volvulus		0.0048	0.0099	0.5
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.019	0.2234	0.2156
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.1455	0.1455
Mycobacterium leprae	conserved hypothetical protein	0.0048	0.0099	0.5
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0373	0.5015	0.4965
Mycobacterium ulcerans	hydrolase	0.0048	0.0099	0.5
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0703	1	1
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0703	1	1
Echinococcus granulosus	zinc phosphodiesterase	0.0048	0.0099	0.0099
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0703	1	1
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.0111	0.1044	1
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0111	0.1044	1
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0099	0.0949
Chlamydia trachomatis	ribonuclease Z	0.0048	0.0099	0.5
Onchocerca volvulus		0.0048	0.0099	0.5
Mycobacterium leprae	POSSIBLE HYDROLASE	0.0048	0.0099	0.5
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0111	0.1044	0.853
Wolbachia endosymbiont of Brugia malayi	metallo-beta-lactamase superfamily hydrolase	0.0048	0.0099	0.5
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.0111	0.1044	0.0954
Echinococcus granulosus	ETHE1 protein	0.0048	0.0099	0.0099
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0373	0.5015	0.4965
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0099	0.0949
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.0111	0.1044	0.853

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= -5.98	Antiamoebic activity against Entamoeba histolytica	ChEMBL.	17074492
Log IC50 (functional)	= 5.98	Antiamoebic activity against Entamoeba histolytica	ChEMBL.	17074492

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Entamoeba histolytica	ChEMBL23	17074492

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

PubChem: 10377285

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 420750