TDR Targets

Basic information

Technical information

TDR Targets ID: 764990
Name: 3-[1-[3-(3-methylphenoxy)propyl]benzimidazol- 2-yl]propan-1-ol
MW: 324.417 | Formula: C20H24N2O2
H donors: 1 H acceptors: 2 LogP: 3.73 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OCCCc1nc2c(n1CCCOc1cccc(c1)C)cccc2
InChi: 1S/C20H24N2O2/c1-16-7-4-8-17(15-16)24-14-6-12-22-19-10-3-2-9-18(19)21-20(22)11-5-13-23/h2-4,7-10,15,23H,5-6,11-14H2,1H3
InChiKey: BXSCUDIHBCXQBB-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

3-[1-[3-(3-methylphenoxy)propyl]-2-benzimidazolyl]propan-1-ol
ZINC02172178
AF-399/42099792
3-[1-(3-m-Tolyloxy-propyl)-1H-benzoimidazol-2-yl]-propan-1-ol
BAS 07327577
T5445726

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	RNA binding protein	0.033	0.4544	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0049	0.0365	0.0348
Schistosoma mansoni	hypothetical protein	0.0049	0.0365	0.0767
Schistosoma mansoni	tar DNA-binding protein	0.033	0.4544	1
Echinococcus multilocularis	lamin dm0	0.0086	0.0923	0.0907
Echinococcus multilocularis	GPCR, family 2	0.0049	0.0365	0.0348
Echinococcus granulosus	intermediate filament protein	0.0086	0.0923	0.0907
Schistosoma mansoni	hypothetical protein	0.0049	0.0365	0.0767
Brugia malayi	beta-lactamase family protein	0.0037	0.0195	0.0429
Schistosoma mansoni	hypothetical protein	0.0106	0.1207	0.2627
Onchocerca volvulus		0.0037	0.0195	0.1688
Schistosoma mansoni	tar DNA-binding protein	0.033	0.4544	1
Onchocerca volvulus		0.0086	0.0923	0.7983
Toxoplasma gondii	LsmAD domain-containing protein	0.0057	0.0483	1
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0365	0.0803
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0718	0.0702
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0049	0.0365	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0899	0.1979
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0429
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0718	0.0702
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0086	0.0923	0.2031
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0259	0.0569
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0195	0.0178
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0365	0.0803
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0042	0.0259	0.0242
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0195	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1156	0.2543
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0429
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0195	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1207	0.2656
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0195	0.0611
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0718	0.1549
Trypanosoma cruzi	PAB1-binding protein , putative	0.0057	0.0483	1
Entamoeba histolytica	hypothetical protein	0.0073	0.0718	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0195	0.5
Schistosoma mansoni	tar DNA-binding protein	0.033	0.4544	1
Brugia malayi	TAR-binding protein	0.033	0.4544	1
Leishmania major	hypothetical protein, conserved	0.0037	0.0195	0.4043
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0195	0.0611
Echinococcus multilocularis	musashi	0.0086	0.0923	0.0907
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0195	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0195	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0086	0.0923	0.2031
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0195	0.0429
Loa Loa (eye worm)	intermediate filament protein	0.0086	0.0923	0.2031
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0195	0.0611
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0195	0.0611
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0154	0.1932	0.4252
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0042	0.0259	0.0242
Brugia malayi	cytoplasmic intermediate filament protein	0.0046	0.0327	0.0719
Brugia malayi	hypothetical protein	0.0073	0.0718	0.1581
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0195	0.0429
Loa Loa (eye worm)	transcription factor SMAD2	0.0261	0.3518	0.7743
Schistosoma mansoni	intermediate filament proteins	0.0086	0.0923	0.2
Schistosoma mansoni	lamin	0.0086	0.0923	0.2
Onchocerca volvulus		0.0102	0.1156	1
Brugia malayi	beta-lactamase	0.0037	0.0195	0.0429
Echinococcus granulosus	GPCR family 2	0.0049	0.0365	0.0348
Onchocerca volvulus		0.0037	0.0195	0.1688
Loa Loa (eye worm)	TAR-binding protein	0.033	0.4544	1
Echinococcus multilocularis	lamin	0.0086	0.0923	0.0907
Entamoeba histolytica	hypothetical protein	0.0073	0.0718	1
Schistosoma mansoni	cellular tumor antigen P53	0.0102	0.1156	0.2515
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0195	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0483	0.1062
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0239	0.3191	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0057	0.0483	1
Schistosoma mansoni	hypothetical protein	0.0049	0.0365	0.0767
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0049	0.0365	0.0348
Trichomonas vaginalis	esterase, putative	0.0037	0.0195	0.5
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0195	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0046	0.0327	0.0719
Echinococcus granulosus	lamin	0.0086	0.0923	0.0907
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0049	0.0365	0.0348
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0195	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0195	0.0393
Entamoeba histolytica	hypothetical protein	0.0073	0.0718	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0365	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0429
Schistosoma mansoni	tar DNA-binding protein	0.033	0.4544	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0365	0.0803
Loa Loa (eye worm)	MH2 domain-containing protein	0.0261	0.3518	0.7743
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.033	0.4544	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0195	0.5
Schistosoma mansoni	hypothetical protein	0.0073	0.0718	0.1549
Loa Loa (eye worm)	hypothetical protein	0.004	0.0235	0.0517
Echinococcus multilocularis	tar DNA binding protein	0.033	0.4544	0.4534
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0195	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0429
Entamoeba histolytica	hypothetical protein	0.0073	0.0718	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0057	0.0483	0.5
Onchocerca volvulus		0.0086	0.0923	0.7983
Schistosoma mansoni	hypothetical protein	0.0049	0.0365	0.0767
Echinococcus granulosus	lamin dm0	0.0086	0.0923	0.0907
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0195	0.0611
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0195	0.0429
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0195	0.0611
Echinococcus multilocularis	tumor protein p63	0.0697	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0429
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0195	0.0611
Leishmania major	hypothetical protein, conserved	0.0057	0.0483	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0195	1
Brugia malayi	RNA recognition motif domain containing protein	0.033	0.4544	1
Schistosoma mansoni	tar DNA-binding protein	0.033	0.4544	1
Brugia malayi	MH2 domain containing protein	0.0261	0.3518	0.7743
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0923	0.2031
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0195	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0195	0.0611
Trypanosoma cruzi	PAB1-binding protein , putative	0.0057	0.0483	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0195	0.0393
Plasmodium vivax	ataxin-2 like protein, putative	0.0057	0.0483	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0429
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0154	0.1932	0.4252
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0195	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0057	0.0483	0.5
Brugia malayi	beta-lactamase family protein	0.0037	0.0195	0.0429
Echinococcus granulosus	tar DNA binding protein	0.033	0.4544	0.4534
Brugia malayi	intermediate filament protein	0.0086	0.0923	0.2031
Schistosoma mansoni	lamin	0.0086	0.0923	0.2
Brugia malayi	latrophilin 2 splice variant baaae	0.0106	0.1207	0.2656
Mycobacterium ulcerans	lipase LipD	0.0037	0.0195	1
Brugia malayi	hypothetical protein	0.0037	0.0184	0.0404
Loa Loa (eye worm)	RNA binding protein	0.033	0.4544	1
Brugia malayi	hypothetical protein	0.0057	0.0483	0.1062
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1932	0.4252
Loa Loa (eye worm)	hypothetical protein	0.004	0.0235	0.0517
Onchocerca volvulus		0.0037	0.0195	0.1688
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0154	0.1932	0.4252
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0195	0.0611

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 764990