TDR Targets

Basic information

Technical information

TDR Targets ID: 658944
Name: 1-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethy l)phenyl]methyl]methanamine
MW: 325.326 | Formula: C17H18F3NO2
H donors: 1 H acceptors: 0 LogP: 3.61 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CNCc2ccc(cc2)C(F)(F)F)ccc1OC
InChi: 1S/C17H18F3NO2/c1-22-15-8-5-13(9-16(15)23-2)11-21-10-12-3-6-14(7-4-12)17(18,19)20/h3-9,21H,10-11H2,1-2H3
InChiKey: PCMKXACBKLWXOV-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

(3,4-dimethoxybenzyl)-[4-(trifluoromethyl)benzyl]amine
BAS 00716624
ST5004622
EU-0074751

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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.2892	0.4198
Echinococcus granulosus	voltage gated potassium channel subunit	0.0028	0.0914	0.1327
Mycobacterium leprae	Conserved hypothetical protein	0.0068	0.4453	0.5922
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase	0.0096	0.689	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0028	0.0914	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.2892	0.4198
Loa Loa (eye worm)	MH2 domain-containing protein	0.0131	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0096	0.689	1
Onchocerca volvulus		0.0096	0.689	1
Plasmodium vivax	aldehyde reductase, putative	0.0028	0.0914	0.5
Loa Loa (eye worm)	oxidoreductase	0.0096	0.689	0.689
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.2892	0.4198
Entamoeba histolytica	hypothetical protein	0.0037	0.1717	0.1344
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.2892	0.2892
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.3289	0.3289
Schistosoma mansoni	hypothetical protein	0.0037	0.1717	0.2493
Onchocerca volvulus		0.0096	0.689	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.689	0.689
Trypanosoma brucei	aldo-keto reductase, putative	0.0096	0.689	1
Echinococcus granulosus	aldehyde reductase	0.0068	0.4453	0.6463
Entamoeba histolytica	hypothetical protein	0.0037	0.1717	0.1344
Entamoeba histolytica	hypothetical protein	0.0037	0.1717	0.1344
Loa Loa (eye worm)	oxidoreductase	0.0096	0.689	0.689
Echinococcus multilocularis	aldo keto reductase	0.0096	0.689	1
Plasmodium falciparum	aldehyde reductase, putative	0.0028	0.0914	0.5
Entamoeba histolytica	aldose reductase, putative	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Mycobacterium ulcerans	oxidoreductase	0.0096	0.689	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0096	0.689	1
Echinococcus granulosus	hypothetical protein	0.0096	0.689	1
Schistosoma mansoni	hypothetical protein	0.0038	0.1767	0.2564
Giardia lamblia	Aldose reductase	0.0096	0.689	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.689	1
Echinococcus granulosus	aldo keto reductase	0.0096	0.689	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.689	0.689
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1767	0.1767
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Schistosoma mansoni	aldo-keto reductase	0.0096	0.689	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.2892	0.4198
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.1717	0.2493
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.689	1
Schistosoma mansoni	potassium channel beta	0.0028	0.0914	0.1327
Trypanosoma cruzi	aldo/keto reductase, putative	0.0096	0.689	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0131	1	1
Loa Loa (eye worm)	oxidoreductase	0.0096	0.689	0.689
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.1717	0.2493
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.3289	0.3289
Trichomonas vaginalis	aldo/keto reductase, putative	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.3289	0.3289
Trichomonas vaginalis	aldo/keto reductase, putative	0.0096	0.689	1
Echinococcus multilocularis	aldehyde reductase	0.0068	0.4453	0.6463
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.689	1
Onchocerca volvulus		0.0096	0.689	1
Entamoeba histolytica	hypothetical protein	0.0037	0.1717	0.1344
Echinococcus granulosus	aldo keto reductase	0.0096	0.689	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0028	0.0914	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.689	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Schistosoma mansoni	aldo-keto reductase	0.0096	0.689	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.689	1
Giardia lamblia	Aldose reductase	0.0096	0.689	0.5
Trichomonas vaginalis	aldo/keto reductase, putative	0.0096	0.689	1
Leishmania major	aldo-keto reductase-like protein	0.0096	0.689	1
Trypanosoma brucei	prostaglandin f synthase	0.0096	0.689	1
Entamoeba histolytica	aldose reductase, putative	0.0096	0.689	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.689	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.689	0.689
Onchocerca volvulus		0.0096	0.689	1
Entamoeba histolytica	aldose reductase, putative	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.2892	0.4198
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.2892	0.4198
Onchocerca volvulus		0.0096	0.689	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.689	0.689
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.1717	0.2493
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase	0.0096	0.689	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0096	0.689	0.689
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.689	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.1767	0.1767
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Leishmania major	prostaglandin f synthase, putative	0.0096	0.689	1
Loa Loa (eye worm)	oxidoreductase	0.0096	0.689	0.689
Onchocerca volvulus		0.0096	0.689	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0028	0.0914	0.1327
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0028	0.0914	0.0914
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.2892	0.4198
Schistosoma mansoni	pol-related	0.0096	0.689	1
Echinococcus granulosus	aldo keto reductase	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase	0.0096	0.689	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0028	0.0914	0.1327
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.3289	0.3289
Brugia malayi	NADH-dependent xylose reductase	0.0028	0.0914	0.0914
Brugia malayi	hypothetical protein	0.0037	0.1717	0.1717
Loa Loa (eye worm)	oxidoreductase	0.0096	0.689	0.689
Toxoplasma gondii	aldose reductase, putative	0.0096	0.689	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0096	0.689	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.2892	0.2892
Trichomonas vaginalis	aldo-keto reductase, putative	0.0096	0.689	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0028	0.0914	0.0914
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0096	0.689	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0096	0.689	1
Trypanosoma cruzi	aldo-keto reductase	0.0096	0.689	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0096	0.689	1

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 658944