TDR Targets

Basic information

Technical information

TDR Targets ID: 870084
Name: 2-(2,5-dimethoxyphenyl)-1,3-dimethylbenzimida zol-1-ium
MW: 283.345 | Formula: C17H19N2O2+
H donors: 0 H acceptors: 0 LogP: 3.17 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)c1n(C)c2c([n+]1C)cccc2)OC
InChi: 1S/C17H19N2O2/c1-18-14-7-5-6-8-15(14)19(2)17(18)13-11-12(20-3)9-10-16(13)21-4/h5-11H,1-4H3/q+1
InChiKey: WMLIEZVMRRBRPE-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-(2,5-dimethoxyphenyl)-1,3-dimethyl-benzimidazol-1-ium
CBDivE_008527
ZINC00225643
STOCK1S-06715
2-(2,5-Dimethoxy-phenyl)-1,3-dimethyl-3H-benzoimidazol-1-ium
BAS 00380650
Enamine_000356

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0103	1	1
Leishmania major	cathepsin L-like protease	0.0026	0.1012	0.1012
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1012	0.1005
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0103	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1012	0.1005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.1012	0.1005
Onchocerca volvulus		0.0026	0.1012	0.1005
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.1002	0.1002
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1012	0.1005
Leishmania major	cysteine peptidase A (CPA)	0.0026	0.1012	0.1012
Onchocerca volvulus		0.0026	0.1012	0.1005
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1012	0.1005
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Treponema pallidum	ATP-dependent RNA helicase	0.0103	1	0.5
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0103	1	0.5
Loa Loa (eye worm)	fibroinase	0.0026	0.1012	0.1012
Trypanosoma cruzi	cruzipain precursor, putative	0.0026	0.1012	0.1012
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Onchocerca volvulus		0.0026	0.1012	0.1005
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0017	0.0009	0.0009
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.1012	0.1012
Toxoplasma gondii	cathepsin CPL	0.0026	0.1012	0.1012
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0103	1	1
Onchocerca volvulus		0.0026	0.1012	0.1005
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1012	0.1012
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0103	1	1
Onchocerca volvulus		0.0026	0.1012	0.1005
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0103	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0103	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1012	0.1005
Brugia malayi	Cytochrome P450 family protein	0.0026	0.1002	0.1002
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0103	1	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0009
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0009
Brugia malayi	cathepsin L-like precursor	0.0017	0.0009	0.0009
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Brugia malayi	Papain family cysteine protease containing protein	0.0026	0.1012	0.1012
Echinococcus multilocularis	cathepsin L cysteine protease	0.0026	0.1012	0.1012
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0026	0.1012	0.1012
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0017	0.0009	0.0009
Brugia malayi	Cytochrome P450 family protein	0.0055	0.4364	0.4364
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1012	0.1012
Echinococcus granulosus	cathepsin l1	0.0026	0.1012	0.1012
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.1012	0.1012
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0103	1	1
Onchocerca volvulus		0.0026	0.1012	0.1005
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.4364	0.4364
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1012	0.1012
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0026	0.1012	0.1012
Mycobacterium leprae	putative cytochrome p450	0.0017	0	0.5
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0103	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Onchocerca volvulus	Cathepsin F homolog	0.0026	0.1012	0.1005
Onchocerca volvulus		0.0026	0.1012	0.1005
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.1002	0.1002
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0103	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1012	0.1005
Leishmania major	cathepsin L-like protease	0.0026	0.1012	0.1012
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1012	0.1012
Leishmania major	cathepsin L-like protease	0.0026	0.1012	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0103	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0103	1	1
Echinococcus multilocularis	cysteine protease	0.0026	0.1012	0.1012
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1012	0.1005
Leishmania major	eukaryotic initiation factor 4a, putative	0.0103	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.1012	0.1005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Loa Loa (eye worm)	ctsf protein	0.0026	0.1012	0.1012
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.1002	0.1002
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Plasmodium vivax	RNA helicase-1, putative	0.0103	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Loa Loa (eye worm)	cysteine protease	0.0026	0.1012	0.1012
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1012	0.1005
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0009
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0026	0.1012	0.1012
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Leishmania major	cytochrome p450-like protein	0.0026	0.1002	0.1002
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1012	0.1005
Onchocerca volvulus	Cathepsin L homolog	0.0026	0.1012	0.1005
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0009
Leishmania major	cathepsin L-like protease	0.0026	0.1012	0.1012
Leishmania major	eukaryotic initiation factor 4a, putative	0.0103	1	1
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0103	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0009
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0026	0.1012	0.1012
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.1012	0.1005
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0026	0.1012	0.1012
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Trypanosoma brucei	cytochrome P450, putative	0.0026	0.1002	0.1002
Echinococcus multilocularis	cysteine protease	0.0026	0.1012	0.1012
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Leishmania major	cathepsin L-like protease	0.0026	0.1012	0.1012
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0103	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0026	0.1012	0.1005
Echinococcus multilocularis	cathepsin L cysteine protease	0.0026	0.1012	0.1012
Mycobacterium leprae	Conserved hypothetical protein	0.0017	0	0.5
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0103	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.1012	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1012	0.1012
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1012	0.1012
Leishmania major	cathepsin L-like protease	0.0026	0.1012	0.1012
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1012	0.1012
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.1012	0.1012
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0103	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.1002	0.1002
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Leishmania major	cathepsin L-like protease	0.0026	0.1012	0.1012
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1012	0.1005
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0103	1	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0.1002	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0026	0.1012	0.1012
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.1012	0.1012
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0103	1	1
Entamoeba histolytica	cysteine protease, putative	0.0026	0.1012	0.1005
Brugia malayi	Cytochrome P450 family protein	0.0026	0.1002	0.1002
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.1002	0.1002
Leishmania major	cathepsin L-like protease	0.0026	0.1012	0.1012
Echinococcus granulosus	cathepsin l1	0.0017	0.0009	0.0009
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.1012	0.1012
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.1012	0.1005
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1012	0.1012
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0009	0.0009

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 870084