TDR Targets

Basic information

Technical information

TDR Targets ID: 648080
Name: 2-[3-(2-methoxy-4-methylphenoxy)propoxy]benza ldehyde
MW: 300.349 | Formula: C18H20O4
H donors: 0 H acceptors: 1 LogP: 3.72 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(C)ccc1OCCCOc1ccccc1C=O
InChi: 1S/C18H20O4/c1-14-8-9-17(18(12-14)20-2)22-11-5-10-21-16-7-4-3-6-15(16)13-19/h3-4,6-9,12-13H,5,10-11H2,1-2H3
InChiKey: VJFOTMJEPUFMGG-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-[3-(2-methoxy-4-methyl-phenoxy)propoxy]benzaldehyde
ZINC02991170

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	aldo-keto reductase, putative	0.0098	0.2653	1
Leishmania major	prostaglandin f synthase, putative	0.0098	0.2653	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0328	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653
Onchocerca volvulus		0.0098	0.2653	1
Entamoeba histolytica	hypothetical protein	0.0328	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Echinococcus granulosus	aldo keto reductase	0.0098	0.2653	0.2653
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0098	0.2653	0.2653
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0028	0.0422	0.0422
Echinococcus granulosus	aldo keto reductase	0.0098	0.2653	0.2653
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0927	0.0927
Plasmodium vivax	aldehyde reductase, putative	0.0028	0.0422	0.5
Echinococcus granulosus	aldehyde reductase	0.007	0.1743	0.1743
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0566	0.1767
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653
Echinococcus multilocularis	aldo keto reductase	0.0098	0.2653	0.2653
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Onchocerca volvulus		0.0098	0.2653	1
Loa Loa (eye worm)	oxidoreductase	0.0098	0.2653	0.8278
Echinococcus multilocularis	aldo keto reductase	0.0098	0.2653	0.2653
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0927	0.0927
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0098	0.2653	0.2653
Plasmodium falciparum	aldo-keto reductase, putative	0.0028	0.0422	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0927	0.0927
Entamoeba histolytica	hypothetical protein	0.0328	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0098	0.2653	0.2653
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0927	0.0927
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0098	0.2653	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0028	0.0422	0.0422
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0098	0.2653	0.2653
Loa Loa (eye worm)	oxidoreductase	0.0098	0.2653	0.8278
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0927	0.0927
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653
Echinococcus granulosus	aldo keto reductase	0.0098	0.2653	0.2653
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.3205	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0098	0.2653	1
Trypanosoma brucei	prostaglandin f synthase	0.0098	0.2653	1
Onchocerca volvulus		0.0098	0.2653	1
Entamoeba histolytica	hypothetical protein	0.0328	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0098	0.2653	1
Entamoeba histolytica	aldose reductase, putative	0.0098	0.2653	0.233
Echinococcus multilocularis	aldehyde reductase	0.007	0.1743	0.1743
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0098	0.2653	0.2653
Schistosoma mansoni	aldo-keto reductase	0.0098	0.2653	0.2653
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0328	1	1
Giardia lamblia	Aldose reductase	0.0098	0.2653	0.5
Schistosoma mansoni	potassium channel beta	0.0028	0.0422	0.0422
Brugia malayi	MH2 domain containing protein	0.0116	0.3205	0.3205
Trichomonas vaginalis	aldo/keto reductase, putative	0.0098	0.2653	1
Schistosoma mansoni	aldo-keto reductase	0.0098	0.2653	0.2653
Echinococcus multilocularis	aldo keto reductase	0.0098	0.2653	0.2653
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0098	0.2653	1
Echinococcus multilocularis	aldo keto reductase	0.0098	0.2653	0.2653
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.3205	1
Entamoeba histolytica	aldose reductase, putative	0.0098	0.2653	0.233
Mycobacterium tuberculosis	Probable oxidoreductase	0.0098	0.2653	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2653	0.8278
Trypanosoma cruzi	aldo-keto reductase	0.0098	0.2653	1
Onchocerca volvulus		0.0098	0.2653	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1054	0.1054
Echinococcus granulosus	voltage gated potassium channel subunit	0.0028	0.0422	0.0422
Plasmodium falciparum	aldehyde reductase, putative	0.0028	0.0422	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0098	0.2653	0.2653
Giardia lamblia	Aldose reductase	0.0098	0.2653	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0098	0.2653	0.2653
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0098	0.2653	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0927	0.0927
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0927	0.0927
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0927	0.0927
Loa Loa (eye worm)	oxidoreductase	0.0098	0.2653	0.8278
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0098	0.2653	0.2653
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653
Trypanosoma cruzi	aldo/keto reductase, putative	0.0098	0.2653	1
Schistosoma mansoni	hypothetical protein	0.0328	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0098	0.2653	0.2653
Entamoeba histolytica	aldose reductase, putative	0.0098	0.2653	0.233
Mycobacterium leprae	Conserved hypothetical protein	0.007	0.1743	0.5922
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0028	0.0422	0.0422
Schistosoma mansoni	transcription factor LCR-F1	0.0328	1	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0028	0.0422	0.5
Mycobacterium ulcerans	oxidoreductase	0.0098	0.2653	1
Entamoeba histolytica	hypothetical protein	0.0328	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1054	0.3289
Brugia malayi	NADH-dependent xylose reductase	0.0028	0.0422	0.0422
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0098	0.2653	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1054	0.1054
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653
Leishmania major	aldo-keto reductase-like protein	0.0098	0.2653	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0098	0.2653	0.2653
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Echinococcus granulosus	hypothetical protein	0.0098	0.2653	0.2653
Loa Loa (eye worm)	oxidoreductase	0.0098	0.2653	0.8278
Trichomonas vaginalis	aldo/keto reductase, putative	0.0098	0.2653	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0098	0.2653	0.2653
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0098	0.2653	0.2653
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0098	0.2653	0.2653
Toxoplasma gondii	aldose reductase, putative	0.0098	0.2653	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0927	0.2892
Schistosoma mansoni	hypothetical protein	0.0033	0.0566	0.0566
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653
Trichomonas vaginalis	aldo-keto reductase, putative	0.0098	0.2653	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0098	0.2653	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0566	0.0566
Trypanosoma brucei	aldo-keto reductase, putative	0.0098	0.2653	1
Onchocerca volvulus		0.0098	0.2653	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1054	0.3289
Schistosoma mansoni	pol-related	0.0098	0.2653	0.2653
Onchocerca volvulus		0.0098	0.2653	1
Loa Loa (eye worm)	oxidoreductase	0.0098	0.2653	0.8278
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0028	0.0422	0.1316
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0098	0.2653	0.2653

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 648080