TDR Targets

Basic information

Technical information

TDR Targets ID: 870828
Name: 1-[(3-chlorophenyl)methylsulfonyl]benzimidazo le
MW: 306.767 | Formula: C14H11ClN2O2S
H donors: 0 H acceptors: 3 LogP: 3.23 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)CS(=O)(=O)n1cnc2c1cccc2
InChi: 1S/C14H11ClN2O2S/c15-12-5-3-4-11(8-12)9-20(18,19)17-10-16-13-6-1-2-7-14(13)17/h1-8,10H,9H2
InChiKey: OIDKQYMSZXDVCA-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-(3-chlorobenzyl)sulfonylbenzimidazole
STK062195
ZINC01518018
Oprea1_676956

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
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.003	0.078
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.003	0.078
Loa Loa (eye worm)	oxidoreductase	0.0018	0.0001	0.0033
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.001	0.001
Brugia malayi	Protein kinase domain containing protein	0.0173	0.0264	0.7053
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0165	0.025	0.6682
Loa Loa (eye worm)	hypothetical protein	0.0035	0.003	0.081
Mycobacterium tuberculosis	Conserved protein	0.0018	0.0001	0.0001
Leishmania major	hypothetical protein, conserved	0.0035	0.003	0.3774
Toxoplasma gondii	ABC1 family protein	0.0035	0.003	0.3774
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.5918	1	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0035	0.0269
Brugia malayi	Protein kinase domain containing protein	0.0165	0.025	0.6682
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0165	0.025	0.6682
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.003	0.003
Entamoeba histolytica	fatty acid elongase, putative	0.0769	0.1273	1
Loa Loa (eye worm)	oxidoreductase	0.0018	0.0001	0.0033
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0063	0.0078	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0035	0.0269
Loa Loa (eye worm)	oxidoreductase	0.0018	0.0001	0.0033
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0173	0.0264	0.7063
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.003	0.078
Plasmodium vivax	aldehyde reductase, putative	0.0018	0.0001	0.0001
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0035	0.0918
Mycobacterium ulcerans	hypothetical protein	0.0023	0.001	0.001
Onchocerca volvulus		0.0035	0.003	0.1167
Entamoeba histolytica	hypothetical protein	0.0038	0.0035	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.0265
Brugia malayi	Stress-activated protein kinase jnk-1	0.0238	0.0373	1
Entamoeba histolytica	fatty acid elongase, putative	0.0769	0.1273	1
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0063	0.0078	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.003	0.3774
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.003	0.3774
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0035	0.0918
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.001	0.1128
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.5918	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0018	0.0001	0.0001
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.001	0.299
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.5918	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.001	0.001
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.003	0.3774
Brugia malayi	beta-lactamase family protein	0.0035	0.003	0.078
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.0185	0.4966
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0035	0.0918
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0063	0.0078	0.2092
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.003	0.003
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.001	0.0233
Onchocerca volvulus		0.0023	0.001	0.0349
Leishmania major	protein kinase, putative	0.0063	0.0078	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.0265
Echinococcus granulosus	hypothetical protein	0.0061	0.0075	0.198
Loa Loa (eye worm)	hypothetical protein	0.0035	0.003	0.081
Echinococcus granulosus	c-Jun N-terminal kinases	0.0238	0.0373	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.001	0.001
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.5918	1	1
Onchocerca volvulus		0.0035	0.003	0.1167
Schistosoma mansoni	serine/threonine protein kinase	0.0238	0.0373	1
Entamoeba histolytica	fatty acid elongase, putative	0.0769	0.1273	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0063	0.0078	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.003	0.081
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.001	0.299
Echinococcus granulosus	dual specificity protein kinase clk2	0.0063	0.0078	0.2066
Loa Loa (eye worm)	hypothetical protein	0.0035	0.003	0.081
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.001	0.1128
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.003	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.001	0.001
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.003	0.003
Mycobacterium ulcerans	beta-lactamase	0.0035	0.003	0.003
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.003	0.003
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.0351	0.0351
Mycobacterium ulcerans	hypothetical protein	0.0035	0.003	0.003
Entamoeba histolytica	hypothetical protein	0.0038	0.0035	0.0269
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.001	0.001
Mycobacterium ulcerans	oxidoreductase	0.0018	0.0001	0.0001
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.003	0.3774
Trichomonas vaginalis	esterase, putative	0.0035	0.003	0.3774
Schistosoma mansoni	serine/threonine protein kinase	0.0165	0.025	0.6682
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.5918	1	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.001	0.0233
Brugia malayi	Protein kinase domain containing protein	0.0063	0.0078	0.2066
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.003	0.003
Giardia lamblia	Kinase, CMGC CLK	0.0063	0.0078	1
Brugia malayi	MH2 domain containing protein	0.0127	0.0185	0.495
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0165	0.025	0.6693
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.001	0.0233
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.003	0.003
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0238	0.0373	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.001	0.001
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0018	0.0001	0.0001
Schistosoma mansoni	serine/threonine protein kinase	0.0063	0.0078	0.2066
Onchocerca volvulus		0.0035	0.003	0.1167
Mycobacterium tuberculosis	Probable oxidoreductase	0.0018	0.0001	0.0001
Mycobacterium ulcerans	lipase LipD	0.0035	0.003	0.003
Echinococcus multilocularis		0.0061	0.0075	0.198
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.003	0.003
Schistosoma mansoni	serine/threonine protein kinase	0.0173	0.0264	0.7053
Mycobacterium leprae	Probable lipase LipE	0.0035	0.003	1
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0063	0.0078	1
Schistosoma mansoni	serine/threonine protein kinase	0.0063	0.0078	0.2066
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.001	0.1128
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.001	0.001
Mycobacterium tuberculosis	Conserved protein	0.0035	0.003	0.003
Loa Loa (eye worm)	oxidoreductase	0.0018	0.0001	0.0033
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.003	0.003
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0063	0.0078	0.2066
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.003	0.078
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.003	0.3774
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0018	0.0001	0.0033
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.5918	1	1
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0238	0.0373	1
Loa Loa (eye worm)	oxidoreductase	0.0018	0.0001	0.0033
Plasmodium falciparum	protein serine/threonine kinase-1	0.0063	0.0078	0.0078
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.001	0.001
Plasmodium falciparum	aldehyde reductase, putative	0.0018	0.0001	0.0001
Brugia malayi	beta-lactamase	0.0035	0.003	0.078
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0075	0.2006
Brugia malayi	hypothetical protein	0.0038	0.0035	0.0918
Mycobacterium tuberculosis	Conserved protein	0.0035	0.003	0.003
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0165	0.025	0.6693
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.003	0.3774
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.003	0.081
Loa Loa (eye worm)	hypothetical protein	0.0035	0.003	0.081
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.003	0.3774
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.001	0.0068
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0165	0.025	0.6682
Loa Loa (eye worm)	hypothetical protein	0.0035	0.003	0.081
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0078	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.0265
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0063	0.0078	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.001	0.001
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.003	0.3774
Leishmania major	protein kinase, putative	0.0063	0.0078	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0063	0.0078	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0001	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0035	0.003	0.081
Schistosoma mansoni	hypothetical protein	0.0038	0.0035	0.0918
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.001	0.0068
Brugia malayi	beta-lactamase family protein	0.0035	0.003	0.078
Mycobacterium ulcerans	hypothetical protein	0.0018	0.0001	0.0001
Entamoeba histolytica	fatty acid elongase, putative	0.0769	0.1273	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0063	0.0078	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.0185	0.4966
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.003	0.003
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.001	0.0068
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0165	0.025	1
Plasmodium vivax	serine/threonine kinase-1, putative	0.0063	0.0078	0.0078
Mycobacterium tuberculosis	Conserved protein	0.0035	0.003	0.003
Entamoeba histolytica	fatty acid elongase, putative	0.0769	0.1273	1
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.5918	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.003	0.078
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.003	0.003

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 870828