TDR Targets

Basic information

Technical information

TDR Targets ID: 952869
Name: ethyl 1-methylbenzimidazole-2-carboxylate
MW: 204.225 | Formula: C11H12N2O2
H donors: 0 H acceptors: 2 LogP: 1.99 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1nc2c(n1C)cccc2
InChi: 1S/C11H12N2O2/c1-3-15-11(14)10-12-8-6-4-5-7-9(8)13(10)2/h4-7H,3H2,1-2H3
InChiKey: VXGQXDGWQPYHDO-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

1-methyl-2-benzimidazolecarboxylic acid ethyl ester
1-methylbenzimidazole-2-carboxylic acid ethyl ester

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
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-4	0.00859448	0.0228588	0.0259845
Trichomonas vaginalis	conserved hypothetical protein	0.00859448	0.0228588	0.0259845
Leishmania major	hypothetical protein, conserved	0.00859448	0.0228588	0.0259845
Echinococcus granulosus	eukaryotic translation initiation factor 4E type	0.00859448	0.0228588	0.0259845
Giardia lamblia	Translation elongation factor	0.00859448	0.0228588	1
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.0770213	0.87971	1
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.00859448	0.0228588	0.0259845
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.00859448	0.0228588	0.0259845
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0130353	0.0784672	0.0891967
Giardia lamblia	hypothetical protein	0.00859448	0.0228588	1
Loa Loa (eye worm)	PDE1B protein	0.0130353	0.0784672	0.0569093
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0130353	0.0784672	0.0891967
Plasmodium vivax	hypothetical protein, conserved	0.00859448	0.0228588	0.291317
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0130353	0.0784672	0.0891967
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.00859448	0.0228588	0.0259845
Trichomonas vaginalis	conserved hypothetical protein	0.00859448	0.0228588	0.0259845
Leishmania major	eukaryotic translation initiation factor-like protein	0.0770213	0.87971	1
Schistosoma mansoni	eukaryotic translation initiation factor 4e	0.0770213	0.87971	1
Brugia malayi	eukaryotic translation initiation factor 4E-1	0.00859448	0.0228588	0.0228588
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.00859448	0.0228588	0.0259845
Toxoplasma gondii	hypothetical protein	0.00859448	0.0228588	0.0259845
Brugia malayi	Eukaryotic translation initiation factor 4E type 3, putative	0.00859448	0.0228588	0.0228588
Leishmania major	eukaryotic translation initiation factor eIF-4E, putative	0.0770213	0.87971	1
Brugia malayi	translation initiation factor 4E	0.0770213	0.87971	0.87971
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-2	0.00859448	0.0228588	0.0259845
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0130353	0.0784672	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0130353	0.0784672	0.0784672
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-4	0.00859448	0.0228588	0.0259845
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.00859448	0.0228588	0.0259845
Loa Loa (eye worm)	hypothetical protein	0.0866275	1	1
Plasmodium falciparum	eukaryotic translation initiation factor 4E, putative	0.00859448	0.0228588	1
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.00859448	0.0228588	0.0259845
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0130353	0.0784672	0.0891967
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-1	0.0770213	0.87971	1
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0326463	0.32404	0.368349
Giardia lamblia	Hypothetical protein	0.00859448	0.0228588	1
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0130353	0.0784672	0.0891967
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.00859448	0.0228588	0.0259845
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E type 5, putative	0.00859448	0.0228588	0.0259845
Toxoplasma gondii	eukaryotic initiation factor-4E, putative	0.0770213	0.87971	1
Onchocerca volvulus	Putative eukaryotic translation initiation factor 4e	0.00859448	0.0228588	1
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.0770213	0.87971	1
Plasmodium vivax	translation initiation factor 4E, putative	0.00859448	0.0228588	0.291317
Loa Loa (eye worm)	translation initiation factor 4E	0.0770213	0.87971	0.876896
Mycobacterium ulcerans	hypoxanthine-guanine phosphoribosyltransferase Hpt	0.00676901	0	0.5
Trypanosoma brucei	Eukaryotic translation initiation factor 4E type 5	0.00859448	0.0228588	0.0259845
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-3	0.00859448	0.0228588	0.0259845
Leishmania major	eukaryotic translation initiation factor 4e, putative	0.00859448	0.0228588	0.0259845
Trichomonas vaginalis	conserved hypothetical protein	0.00859448	0.0228588	0.0259845
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.00859448	0.0228588	0.0259845
Echinococcus granulosus	eukaryotic translation initiation factor 4E	0.0770213	0.87971	1
Toxoplasma gondii	eukaryotic initiation factor-4E, putative	0.00859448	0.0228588	0.0259845
Leishmania major	hypothetical protein, conserved	0.00859448	0.0228588	0.0259845
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-3	0.00859448	0.0228588	0.0259845
Trypanosoma cruzi	eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative	0.00859448	0.0228588	0.0259845
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0130353	0.0784672	0.0891967
Leishmania major	eukaryotic translation initiation factor-like	0.0770213	0.87971	1
Plasmodium falciparum	eukaryotic translation initiation factor 4E	0.00859448	0.0228588	1
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0326463	0.32404	0.368349
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-1	0.0770213	0.87971	1
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.00859448	0.0228588	0.0259845
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0130353	0.0784672	0.0891967
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0770213	0.87971	1
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-1	0.0770213	0.87971	1
Echinococcus multilocularis	eukaryotic translation initiation factor 4E	0.0770213	0.87971	1
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.00859448	0.0228588	0.0259845
Giardia lamblia	Hypothetical protein	0.00859448	0.0228588	1
Loa Loa (eye worm)	hypothetical protein	0.0821583	0.944035	0.942726
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.00859448	0.0228588	0.0259845
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.00859448	0.0228588	0.0259845
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0130353	0.0784672	0.0891967
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E type 5, putative	0.00859448	0.0228588	0.0259845
Leishmania major	eukaryotic translation initiation factor, putative	0.00859448	0.0228588	0.0259845
Trichomonas vaginalis	hypothetical protein	0.00859448	0.0228588	0.0259845
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0866275	1	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0130353	0.0784672	0.0891967
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0130353	0.0784672	0.0891967
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-4	0.00859448	0.0228588	0.0259845
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0770213	0.87971	1
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0770213	0.87971	1
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0326463	0.32404	0.368349
Trypanosoma cruzi	eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative	0.00859448	0.0228588	0.0259845
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.00859448	0.0228588	0.0259845
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0130353	0.0784672	0.0891967
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0770213	0.87971	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.0857 uM	Antiprotozoal activity against Trichomonas vaginalis GT3 trophozoites after 48 hrs	ChEMBL.	19186059

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trichomonas vaginalis	ChEMBL23	19186059

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

ChEMBL: CHEMBL457937

Bibliographic References

No literature references available for this target.

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Detailed information for compound 952869