TDR Targets

Basic information

Technical information

TDR Targets ID: 724033
Name: 3-ethoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy )ethoxy]benzaldehyde
MW: 356.412 | Formula: C21H24O5
H donors: 0 H acceptors: 1 LogP: 4.4 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: C=CCc1ccc(c(c1)OC)OCCOc1ccc(cc1OCC)C=O
InChi: 1S/C21H24O5/c1-4-6-16-7-9-18(20(13-16)23-3)25-11-12-26-19-10-8-17(15-22)14-21(19)24-5-2/h4,7-10,13-15H,1,5-6,11-12H2,2-3H3
InChiKey: OWKCZRRXWYJXPW-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

4-[2-(4-allyl-2-methoxy-phenoxy)ethoxy]-3-ethoxy-benzaldehyde
4-[2-(4-allyl-2-methoxyphenoxy)ethoxy]-3-ethoxybenzaldehyde
3-ethoxy-4-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethoxy]benzaldehyde
ZINC02866698

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)	beta-LACTamase domain containing family member	0.008	0.0092	0.0092
Echinococcus multilocularis	thymidylate synthase	0.0616	0.1191	0.1159
Entamoeba histolytica	hypothetical protein	0.0076	0.0083	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0262	0.0464	0.043
Schistosoma mansoni	hypothetical protein	0.0191	0.0318	0.0318
Entamoeba histolytica	hypothetical protein	0.0076	0.0083	0.5
Giardia lamblia	Kinase, CMGC MAPK	0.0054	0.0036	0.5
Schistosoma mansoni	hypothetical protein	0.0053	0.0036	0.0036
Brugia malayi	RNA binding protein	0.007	0.007	0.007
Brugia malayi	beta-lactamase family protein	0.008	0.0092	0.0092
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0101	0.0134	0.0098
Loa Loa (eye worm)	RNA binding protein	0.007	0.007	0.007
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0243	0.0426	0.0426
Echinococcus granulosus	tar DNA binding protein	0.007	0.007	0.0034
Entamoeba histolytica	hypothetical protein	0.0076	0.0083	0.5
Trichomonas vaginalis	esterase, putative	0.008	0.0092	0.1124
Schistosoma mansoni	serine/threonine protein kinase	0.0054	0.0036	0.0036
Echinococcus multilocularis	geminin	0.0191	0.0318	0.0283
Toxoplasma gondii	aldehyde dehydrogenase	0.0129	0.0192	0.0292
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.007	0.007
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0034	0.0034
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0101	0.0134	0.0098
Echinococcus granulosus	geminin	0.0191	0.0318	0.0283
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0129	0.0192	0.0101
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0616	0.1191	0.111
Entamoeba histolytica	hypothetical protein	0.0076	0.0083	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.008	0.0092	0.0092
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.4906	1	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.007	0.007
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0036	0.0036
Onchocerca volvulus	Huntingtin homolog	0.0138	0.021	0.1502
Brugia malayi	hypothetical protein	0.0293	0.0528	0.0528
Loa Loa (eye worm)	hypothetical protein	0.008	0.0092	0.0092
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.0083	0.0047
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.0083	0.0047
Loa Loa (eye worm)	hypothetical protein	0.008	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0138	0.021	0.021
Loa Loa (eye worm)	beta-lactamase	0.008	0.0092	0.0092
Trichomonas vaginalis	D-aminoacylase, putative	0.008	0.0092	0.1124
Schistosoma mansoni	hypothetical protein	0.0076	0.0083	0.0083
Toxoplasma gondii	ABC1 family protein	0.008	0.0092	0.0104
Brugia malayi	beta-lactamase family protein	0.008	0.0092	0.0092
Echinococcus multilocularis	survival motor neuron protein 1	0.0262	0.0464	0.043
Trichomonas vaginalis	penicillin-binding protein, putative	0.008	0.0092	0.1124
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.2647	0.5361	1
Brugia malayi	hypothetical protein	0.0138	0.021	0.021
Brugia malayi	Dihydrofolate reductase	0.4906	1	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.007	0.007
Schistosoma mansoni	tar DNA-binding protein	0.007	0.007	0.007
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0129	0.0192	0.0101
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0034	0.0034
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0293	0.0528	0.0924
Trichomonas vaginalis	D-aminoacylase, putative	0.008	0.0092	0.1124
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.4906	1	1
Loa Loa (eye worm)	TAR-binding protein	0.007	0.007	0.007
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0101	0.0134	0.0098
Onchocerca volvulus		0.008	0.0092	0.048
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.0134	0.0134
Loa Loa (eye worm)	thymidylate synthase	0.0616	0.1191	0.1191
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0514	0.0982	0.0898
Echinococcus granulosus	beta LACTamase domain containing family member	0.008	0.0092	0.0055
Schistosoma mansoni	tar DNA-binding protein	0.007	0.007	0.007
Echinococcus granulosus	thymidylate synthase	0.0616	0.1191	0.1159
Brugia malayi	follicle stimulating hormone receptor	0.0243	0.0426	0.0426
Echinococcus granulosus	dihydrofolate reductase	0.4906	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0464	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0138	0.021	0.021
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.2647	0.5361	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0036	0.0036
Trichomonas vaginalis	conserved hypothetical protein	0.0293	0.0528	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0129	0.0192	0.0101
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0054	0.0036	0.0036
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.008	0.0092	0.0092
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.0134	0.0134
Trichomonas vaginalis	D-aminoacylase, putative	0.008	0.0092	0.1124
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0034	0.0034
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0129	0.0192	0.0292
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.0134	0.0134
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0898	0.1771	0.1741
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.2647	0.5361	1
Onchocerca volvulus	Huntingtin homolog	0.0138	0.021	0.1502
Echinococcus multilocularis	tar DNA binding protein	0.007	0.007	0.0034
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0616	0.1191	0.1191
Brugia malayi	MAP kinase sur-1	0.0054	0.0036	0.0036
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.008	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.008	0.0092	0.0092
Echinococcus multilocularis	beta LACTamase domain containing family member	0.008	0.0092	0.0055
Loa Loa (eye worm)	dihydrofolate reductase	0.4906	1	1
Echinococcus multilocularis	dihydrofolate reductase	0.4906	1	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.0092	0.0092
Trypanosoma cruzi	hypothetical protein, conserved	0.008	0.0092	0.0104
Schistosoma mansoni	tar DNA-binding protein	0.007	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.008	0.0092	0.0092
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0101	0.0134	0.0098
Schistosoma mansoni	hypothetical protein	0.0191	0.0318	0.0318
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0101	0.0134	0.0134
Mycobacterium tuberculosis	Hypothetical protein	0.0293	0.0528	0.0441
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.2647	0.5361	1
Brugia malayi	TAR-binding protein	0.007	0.007	0.007
Mycobacterium ulcerans	thymidylate synthase	0.0616	0.1191	0.111
Loa Loa (eye worm)	hypothetical protein	0.008	0.0092	0.0092
Chlamydia trachomatis	dihydrofolate reductase	0.4906	1	0.5
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0616	0.1191	0.111
Schistosoma mansoni	aldehyde dehydrogenase	0.0129	0.0192	0.0192
Onchocerca volvulus		0.0616	0.1191	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0129	0.0192	0.0101
Schistosoma mansoni	aldehyde dehydrogenase	0.0129	0.0192	0.0192
Onchocerca volvulus		0.008	0.0092	0.048
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.4906	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0129	0.0192	0.0156
Trypanosoma brucei	hypothetical protein, conserved	0.008	0.0092	0.0104
Brugia malayi	beta-lactamase	0.008	0.0092	0.0092
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.2647	0.5361	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0101	0.0134	0.0134
Schistosoma mansoni	dihydrofolate reductase	0.4906	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.0083	0.0083
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.2647	0.5361	0.5
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0129	0.0192	0.0156
Brugia malayi	hypothetical protein	0.0076	0.0083	0.0083
Trypanosoma cruzi	hypothetical protein, conserved	0.008	0.0092	0.0104
Onchocerca volvulus		0.008	0.0092	0.048
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.007	0.007
Leishmania major	hypothetical protein, conserved	0.008	0.0092	0.0104
Brugia malayi	hypothetical protein	0.0262	0.0464	0.0464
Trichomonas vaginalis	penicillin-binding protein, putative	0.008	0.0092	0.1124
Brugia malayi	thymidylate synthase	0.0616	0.1191	0.1191

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 724033