TDR Targets

Basic information

Technical information

TDR Targets ID: 27823
Name: 2,5,6-trichloro-1-[(4-fluorophenyl)methyl]ben zimidazole
MW: 329.584 | Formula: C14H8Cl3FN2
H donors: 0 H acceptors: 1 LogP: 5.35 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)Cn1c(Cl)nc2c1cc(Cl)c(c2)Cl
InChi: 1S/C14H8Cl3FN2/c15-10-5-12-13(6-11(10)16)20(14(17)19-12)7-8-1-3-9(18)4-2-8/h1-6H,7H2
InChiKey: PLBMTONBFSMWGQ-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

2,5,6-trichloro-1-(4-fluorobenzyl)benzimidazole
AIDS059415
2,5,6-Trichloro-1-(4-fluorobenzyl)-1H-benzimidazole
AIDS-059415

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	helicase, putative	0.0007	0.0039	0.0662
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0051	0.0566	0.1592
Schistosoma mansoni	cpg binding protein	0.003	0.0314	0.0883
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0009	0.0025
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0039	0.0662
Onchocerca volvulus		0.0055	0.0608	0.3649
Echinococcus multilocularis	lamin dm0	0.0055	0.0608	0.0564
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0039	0.0662
Brugia malayi	Carboxylesterase family protein	0.0051	0.0566	0.0892
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0039	0.0662
Onchocerca volvulus		0.0098	0.1121	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0478	0.5659	0.5639
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0039	0.0662
Schistosoma mansoni	cpg binding protein	0.0032	0.0334	0.094
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0039	0.0662
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.024	0.2826	0.4933
Echinococcus multilocularis	para nitrobenzyl esterase	0.0051	0.0566	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0566	0.089
Schistosoma mansoni	lamin	0.0055	0.0608	0.1712
Loa Loa (eye worm)	carboxylesterase	0.0051	0.0566	0.089
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0039	0.0662
Schistosoma mansoni	intermediate filament proteins	0.0055	0.0608	0.1712
Entamoeba histolytica	hypothetical protein	0.0004	0	0.5
Brugia malayi	Carboxylesterase family protein	0.0051	0.0566	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0025	0.026	0.0343
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0039	0.0662
Loa Loa (eye worm)	intermediate filament protein	0.0055	0.0608	0.0966
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0039	0.0662
Echinococcus granulosus	acetylcholinesterase	0.0301	0.3553	0.6248
Echinococcus granulosus	survival motor neuron protein 1	0.0478	0.5659	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0566	0.089
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0055	0.0608	0.0966
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0314	0.0439
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0068	0.0039
Brugia malayi	Carboxylesterase family protein	0.0051	0.0566	0.0892
Schistosoma mansoni	cpg binding protein	0.0032	0.0334	0.094
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0566	0.089
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0566	0.089
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0051	0.0566	0.1592
Brugia malayi	CXXC zinc finger family protein	0.003	0.0314	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0025	0.026	0.0343
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0039	0.0662
Onchocerca volvulus		0.0051	0.0566	0.312
Schistosoma mansoni	lamin	0.0055	0.0608	0.1712
Schistosoma mansoni	gliotactin	0.0051	0.0566	0.1592
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0051	0.0566	0.1592
Trichomonas vaginalis	spcc417.12 protein, putative	0.0051	0.0566	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0051	0.0566	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0272	0.0364
Echinococcus multilocularis	acetylcholinesterase	0.0301	0.3553	0.3523
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0039	0.0662
Echinococcus granulosus	lamin	0.0055	0.0608	0.1001
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0039	0.0662
Onchocerca volvulus		0.0051	0.0566	0.312
Mycobacterium ulcerans	carboxylesterase, LipT	0.0051	0.0566	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0051	0.0566	0.0522
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0051	0.0566	0.0522
Schistosoma mansoni	BC026374 protein (S09 family)	0.0051	0.0566	0.1592
Brugia malayi	Carboxylesterase family protein	0.0051	0.0566	0.0892
Onchocerca volvulus		0.0055	0.0608	0.3649
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0039	0.0662
Onchocerca volvulus		0.0051	0.0566	0.312
Loa Loa (eye worm)	hypothetical protein	0.0301	0.3553	0.6234
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0608	0.0966
Brugia malayi	follicle stimulating hormone receptor	0.024	0.2826	0.4934
Echinococcus granulosus	intermediate filament protein	0.0055	0.0608	0.1001
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0596	0.0945
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0301	0.3553	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0039	0.0662
Echinococcus multilocularis	musashi	0.0055	0.0608	0.0564
Brugia malayi	hypothetical protein	0.0051	0.0566	0.0892
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0712	0.2005
Brugia malayi	Intermediate filament tail domain containing protein	0.0055	0.0608	0.0968
Loa Loa (eye worm)	carboxylesterase	0.0051	0.0566	0.089
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.0272	0.0226
Echinococcus granulosus	para nitrobenzyl esterase	0.0051	0.0566	0.0925
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0039	0.0662
Onchocerca volvulus		0.0051	0.0566	0.312
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0051	0.0566	0.0925
Echinococcus granulosus	BC026374 protein S09 family	0.0051	0.0566	0.0925
Echinococcus granulosus	neuroligin	0.0051	0.0566	0.0925
Loa Loa (eye worm)	hypothetical protein	0.0301	0.3553	0.6234
Loa Loa (eye worm)	hypothetical protein	0.0478	0.5659	1
Schistosoma mansoni	hypothetical protein	0.0098	0.1121	0.3154
Plasmodium falciparum	zinc finger protein, putative	0.0004	0	0.5
Echinococcus granulosus	cpg binding protein	0.0032	0.0334	0.0512
Echinococcus multilocularis	lamin	0.0055	0.0608	0.0564
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0039	0.0662
Loa Loa (eye worm)	carboxylesterase	0.0301	0.3553	0.6234
Echinococcus multilocularis	acetylcholinesterase	0.0301	0.3553	0.3523
Loa Loa (eye worm)	acetylcholinesterase 1	0.0301	0.3553	0.6234
Brugia malayi	hypothetical protein	0.0478	0.5659	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0566	0.089
Schistosoma mansoni	acetylcholinesterase	0.0051	0.0566	0.1592
Echinococcus multilocularis	neuroligin	0.0051	0.0566	0.0522
Brugia malayi	Carboxylesterase family protein	0.0301	0.3553	0.6235
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.0306	0.0426
Echinococcus multilocularis	cpg binding protein	0.0032	0.0334	0.0289
Onchocerca volvulus		0.0051	0.0566	0.312
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0566	0.089
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0098	0.1121	0.1885
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0632	0.5
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0051	0.0566	0.5
Schistosoma mansoni	survival motor neuron protein	0.0098	0.1121	0.3154
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0039	0.0662
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0051	0.0566	0.5
Echinococcus multilocularis	carboxylesterase 5A	0.0301	0.3553	0.3523
Brugia malayi	intermediate filament protein	0.0055	0.0608	0.0968
Brugia malayi	Carboxylesterase family protein	0.0301	0.3553	0.6235
Echinococcus granulosus	carboxylesterase 5A	0.0301	0.3553	0.6248
Brugia malayi	cytoplasmic intermediate filament protein	0.0029	0.0306	0.0429
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0051	0.0566	0.5
Echinococcus granulosus	lamin dm0	0.0055	0.0608	0.1001
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0068	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0566	0.089
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.0272	0.0402
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0051	0.0566	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0039	0.0662
Echinococcus granulosus	acetylcholinesterase	0.0301	0.3553	0.6248
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0046	0.0131

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 19 uM	Compound was tested for antiviral activity against HIV-1 resistant to TIBO A-17	ChEMBL.	9548815
IC50 (functional)	> 30 uM	Compound was tested for antiviral activity against HIV-2	ChEMBL.	9548815
IC50 (functional)	= 37 uM	Activity against HIV-1 by syncytial plaque assay performed in duplicate using CEM-SS cells	ChEMBL.	9548815
IC50 (functional)	> 100 uM	Antiviral activity against human cytomegalovirus(HCMV) by plaque reduction assay	ChEMBL.	9548815
IC50 (functional)	> 100 uM	Antiviral activity against herpes simplex virus type-1 (HSV-1)	ChEMBL.	9548815
IC50 (functional)	> 100 uM	Visual cytotoxicity scored on HFF cells at a time of HCMV plaque enumeration	ChEMBL.	9548815
IC50 (functional)	> 100 uM	Inhibition of KB cell growth determined by quadruplicate assays	ChEMBL.	9548815
IC50 (functional)	> 100 uM	Cytotoxicity against CEM-SS cells in terms of incorporation of [3H]-dThd	ChEMBL.	9548815
IC50 (functional)	> 100 uM	Visual cytotoxicity scored on HFF cells at a time of HCMV plaque enumeration	ChEMBL.	9548815
IC50 (functional)	> 100 uM	Inhibition of KB cell growth determined by quadruplicate assays	ChEMBL.	9548815
IC50 (functional)	> 100 uM	Cytotoxicity against CEM-SS cells in terms of incorporation of [3H]-dThd	ChEMBL.	9548815

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: CHEMBL23020
PubChem: 469150

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 27823