TDR Targets

Basic information

Technical information

TDR Targets ID: 1642271
Name: 1H-benzimidazol-2-ylmethyl diethylaminomethan edithioate
MW: 279.424 | Formula: C13H17N3S2
H donors: 1 H acceptors: 1 LogP: 3.1 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=S)SCc1nc2c([nH]1)cccc2)CC
InChi: 1S/C13H17N3S2/c1-3-16(4-2)13(17)18-9-12-14-10-7-5-6-8-11(10)15-12/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChiKey: IGYJFMGTIQDXMS-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

diethylaminomethanedithioic acid 1H-benzimidazol-2-ylmethyl 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
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1077	0.1077
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0232	0.1768
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0232	0.1768
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0256	0.0256
Trypanosoma brucei	glutaminyl cyclase, putative	0.0185	0.1308	1
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Schistosoma mansoni	glutaminyl-peptide cyclotransferase-related	0.0185	0.1308	0.1308
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0256	0.0256
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0185	0.1308	1
Plasmodium vivax	hypothetical protein, conserved	0.0038	0	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	0.0232	0.1768
Brugia malayi	FXNA	0.0185	0.1308	0.1308
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1308	0.1308
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0185	0.1308	0.1308
Toxoplasma gondii	hypothetical protein	0.0185	0.1308	1
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0256	0.0256
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0256	0.0256
Brugia malayi	TAR-binding protein	0.0067	0.0256	0.0256
Onchocerca volvulus	Fxna peptidase homolog	0.0185	0.1308	0.1308
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0256	0.0256
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.1816	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0256	0.0256
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.1164	1	1
Toxoplasma gondii	peptidase, M28 family protein	0.0185	0.1308	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	0.0232	0.1768
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.078	0.078
Onchocerca volvulus		0.0185	0.1308	0.1308
Mycobacterium leprae	Probable lipase LipE	0.0038	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1308	0.1308
Trichomonas vaginalis	Clan MH, family M28, aminopeptidase S-like metallopeptidase	0.0185	0.1308	1
Mycobacterium tuberculosis	Probable lipoprotein aminopeptidase LpqL	0.0185	0.1308	0.7205
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0185	0.1308	0.1308
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0256	0.0256
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0185	0.1308	0.1308
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0129	0.081	0.0809
Loa Loa (eye worm)	leucyl aminopeptidase	0.0185	0.1308	0.1308
Trichomonas vaginalis	conserved hypothetical protein	0.0185	0.1308	1
Onchocerca volvulus	Huntingtin homolog	0.0129	0.081	0.0809
Mycobacterium tuberculosis	Conserved protein	0.0185	0.1308	0.7205
Schistosoma mansoni	Fxna peptidase (M28 family)	0.0185	0.1308	0.1308
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0185	0.1308	1
Trichomonas vaginalis	conserved hypothetical protein	0.0185	0.1308	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0064	0.0232	0.0232
Onchocerca volvulus	Fxna peptidase homolog	0.0185	0.1308	0.1308
Brugia malayi	hypothetical protein	0.0129	0.081	0.081
Mycobacterium leprae	conserved hypothetical protein	0.0038	0	0.5
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Trypanosoma cruzi	glutaminyl cyclase, putative	0.0185	0.1308	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.081	0.0809
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	0.0232	0.0232
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0256	0.0256
Brugia malayi	MH2 domain containing protein	0.0126	0.078	0.078
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1308	0.1308
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0185	0.1308	0.1308
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0185	0.1308	0.1308
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.078	0.078
Mycobacterium ulcerans	lipoprotein aminopeptidase LpqL	0.0185	0.1308	1
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0185	0.1308	0.1308
Onchocerca volvulus	Huntingtin homolog	0.0129	0.081	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1308	0.1308
Brugia malayi	nicalin	0.0185	0.1308	0.1308
Onchocerca volvulus	Glutaminyl cyclase homolog	0.1164	1	1
Brugia malayi	RNA binding protein	0.0067	0.0256	0.0256
Schistosoma mansoni	nicalin (M28 family)	0.0185	0.1308	0.1308
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0256	0.0256
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.1164	1	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0064	0.0232	0.1274
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0256	0.0256
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.0232	0.0232
Leishmania major	glutaminyl cyclase, putative	0.0185	0.1308	1
Leishmania major	hypothetical protein, conserved	0.0185	0.1308	1
Mycobacterium ulcerans	hypothetical protein	0.0185	0.1308	1
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.1164	1	1
Brugia malayi	hypothetical protein	0.0159	0.1077	0.1077
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0232	0.1768
Loa Loa (eye worm)	hypothetical protein	0.1164	1	1
Onchocerca volvulus	Fxna peptidase homolog	0.0185	0.1308	0.1308
Onchocerca volvulus		0.0159	0.1077	0.1077
Brugia malayi	leucyl aminopeptidase	0.0185	0.1308	0.1308
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0256	0.0256

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

ChEMBL: CHEMBL2017158

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1642271