TDR Targets

Basic information

Technical information

TDR Targets ID: 1203644
Name: 1-[4-[3-(3H-imidazol-4-yl)propoxy]-2-methoxyp henyl]ethanone
MW: 274.315 | Formula: C15H18N2O3
H donors: 1 H acceptors: 2 LogP: 2.04 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OCCCc2c[nH]cn2)ccc1C(=O)C
InChi: 1S/C15H18N2O3/c1-11(18)14-6-5-13(8-15(14)19-2)20-7-3-4-12-9-16-10-17-12/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)
InChiKey: JFDAZEBHPBCBRX-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-[4-[3-(3H-imidazol-4-yl)propoxy]-2-methoxy-phenyl]ethanone

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	0.0017	0.0217	0.021
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0217	0.021
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0184	0.0176
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0434	0.0427
Schistosoma mansoni	cpg binding protein	0.003	0.0471	0.0464
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.0445	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0334	0.0327
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0198	0.0191
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0184	0.0176
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0327	0.0698
Onchocerca volvulus		0.0023	0.0334	0.0327
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0095	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0942	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0368	0.0361
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0434	0.0427
Echinococcus multilocularis	muscleblind protein 1	0.0295	0.5761	0.5758
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0012	0.0005
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0047	0.004
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0327	0.032
Mycobacterium ulcerans	thymidylate synthase	0.0507	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0334	0.0327
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0327	0.0698
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0946	0.0939
Echinococcus multilocularis	snurportin 1	0.03	0.5872	0.587
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0334	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0217	0.021
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0007	0.0015
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.0942	0.0935
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0334	0.0327
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0334	0.0327
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0184	0.0176
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0047	0.004
Echinococcus multilocularis	lamin	0.0054	0.0942	0.0935
Trichomonas vaginalis	conserved hypothetical protein	0.0241	0.469	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0183	0.0176
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0217	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0334	0.0327
Entamoeba histolytica	hypothetical protein	0.0023	0.0327	0.9805
Echinococcus granulosus	snurportin 1	0.03	0.5872	0.587
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0184	0.0176
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0198	0.0191
Brugia malayi	RNA, U transporter 1	0.008	0.147	0.1464
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0334	0.0327
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0369	0.0362
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0334	0.0327
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0184	0.0176
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0507	1	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0184	0.0176
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0856	0.0849
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0922	0.0915
Schistosoma mansoni	hypothetical protein	0.0016	0.0183	0.0176
Onchocerca volvulus		0.0507	1	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0439	0.0432
Leishmania major	hypothetical protein, conserved	0.0025	0.0369	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0295	0.5761	0.5758
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0184	0.0176
Brugia malayi	Muscleblind-like protein	0.0295	0.5761	0.5758
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0507	1	1
Brugia malayi	hypothetical protein	0.0241	0.469	0.4686
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0434	0.0427
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0327	0.032
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0183	0.0176
Schistosoma mansoni	hypothetical protein	0.0034	0.0544	0.0538
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0334	0.0327
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0334	0.0327
Echinococcus granulosus	thymidylate synthase	0.0507	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0217	0.021
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0184	0.0176
Schistosoma mansoni	importin beta-1	0.0028	0.0434	0.0427
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0183	0.0176
Schistosoma mansoni	hypothetical protein	0.0011	0.0095	0.0088
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0184	0.0176
Brugia malayi	Importin beta-1 subunit	0.0028	0.0434	0.0427
Echinococcus multilocularis	musashi	0.0054	0.0942	0.0935
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0007	0.0015
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0047	0.004
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0184	0.0176
Echinococcus granulosus	dnaJ subfamily B	0.0404	0.7949	0.7948
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0045	0.0038
Echinococcus granulosus	GPCR family 2	0.0016	0.0183	0.0176
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0369	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0388	0.0381
Echinococcus granulosus	cpg binding protein	0.003	0.0471	0.0464
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0217	0.021
Echinococcus multilocularis	cpg binding protein	0.003	0.0471	0.0464
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0334	0.0327
Schistosoma mansoni	hypothetical protein	0.0016	0.0183	0.0176
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0217	0.021
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0217	0.021
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0241	0.469	0.4686
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0334	0.0327
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.1074	0.1068
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0217	0.021
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0507	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0183	0.0176
Onchocerca volvulus		0.0054	0.0942	0.0935
Onchocerca volvulus		0.0054	0.0942	0.0935
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.03	0.5872	0.587
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0507	1	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.0388	0.0381
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0012	0.0005
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0183	0.0176
Mycobacterium tuberculosis	Hypothetical protein	0.0241	0.469	0.4686
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0334	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0184	0.0176
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0184	0.0176
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0507	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0369	0.0362
Echinococcus granulosus	lamin	0.0054	0.0942	0.0935
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0369	0.0362
Schistosoma mansoni	intermediate filament proteins	0.0054	0.0942	0.0935
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0507	1	1
Echinococcus multilocularis	thymidylate synthase	0.0507	1	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0434	0.0427
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.0942	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0369	0.0362
Plasmodium falciparum	importin beta, putative	0.0028	0.0434	0.0427
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0334	0.0327
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0434	0.0427
Schistosoma mansoni	lamin	0.0054	0.0942	0.0935
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0334	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0334	0.0327
Brugia malayi	hypothetical protein	0.0025	0.0369	0.0362
Schistosoma mansoni	hypothetical protein	0.0016	0.0183	0.0176
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0198	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0544	0.0538
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0856	0.0849
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0434	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0217	0.021
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0184	0.0176
Echinococcus multilocularis	lamin dm0	0.0054	0.0942	0.0935
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.0942	0.0935
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0334	0.0327
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0184	0.0176
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0334	0.0327
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0183	0.0176
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0369	0.0362
Brugia malayi	cytoplasmic intermediate filament protein	0.0029	0.0445	0.0438
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0334	0.0327
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0095	0.0088
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0334	0.0327
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0334	0.0327
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0434	0.0427
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0184	0.0176
Schistosoma mansoni	hypothetical protein	0.0016	0.0183	0.0176
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0183	0.0176
Schistosoma mansoni	hypothetical protein	0.0404	0.7949	0.7948
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.0388	0.0381
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0369	0.0362
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0184	0.0176
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0012	0.0005
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0439	0.0432
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0184	0.0176
Echinococcus granulosus	lamin dm0	0.0054	0.0942	0.0935
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0183	0.0176
Echinococcus multilocularis	dnaJ subfamily B	0.0404	0.7949	0.7948
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0012	0.0005
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0334	0.0327
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0544	0.0538
Loa Loa (eye worm)	thymidylate synthase	0.0507	1	1
Brugia malayi	hypothetical protein	0.0016	0.0193	0.0186
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0198	0.0191
Brugia malayi	intermediate filament protein	0.0054	0.0942	0.0935
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0369	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0856	0.0849
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0507	1	1
Schistosoma mansoni	hypothetical protein	0.03	0.5872	0.587
Schistosoma mansoni	cpg binding protein	0.0028	0.0439	0.0432
Schistosoma mansoni	cpg binding protein	0.003	0.0471	0.0464
Schistosoma mansoni	lamin	0.0054	0.0942	0.0935
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0507	1	1
Onchocerca volvulus		0.0028	0.0439	0.0432
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0012	0.0005
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0327	0.0698
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0368	0.0361
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0334	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.5761	0.5758
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0183	0.0176
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0184	0.0176
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0507	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0856	0.0849
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0184	0.0176
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0334	0.0327
Echinococcus granulosus	intermediate filament protein	0.0054	0.0942	0.0935
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0184	0.0176
Echinococcus granulosus	muscleblind protein	0.0295	0.5761	0.5758
Echinococcus multilocularis	muscleblind protein	0.0295	0.5761	0.5758

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: CHEMBL1185945

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1203644