TDR Targets

Basic information

Technical information

TDR Targets ID: 781566
Name: 6-(4-ethoxyphenyl)-2,4,8-trimethyl-7-(4-methy lphenyl)purino[8,7-b]imidazole-1,3-dione
MW: 443.498 | Formula: C25H25N5O3
H donors: 0 H acceptors: 3 LogP: 4.9 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)n1c2nc3c(n2c(c1c1ccc(cc1)C)C)c(=O)n(c(=O)n3C)C
InChi: 1S/C25H25N5O3/c1-6-33-19-13-11-18(12-14-19)30-20(17-9-7-15(2)8-10-17)16(3)29-21-22(26-24(29)30)27(4)25(32)28(5)23(21)31/h7-14H,6H2,1-5H3
InChiKey: SAAYRWSYLYYQCY-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

6-(4-ethoxyphenyl)-2,4,8-trimethyl-7-(4-methylphenyl)purino[8,7-b]imidazole-1,3-quinone
A3966/0169058

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
Echinococcus granulosus	para nitrobenzyl esterase	0.2404	0.1642	0.1642
Schistosoma mansoni	acetylcholinesterase	0.2404	0.1642	0.1642
Brugia malayi	aspartic protease BmAsp-1, identical	0.016	0.0055	0.0055
Plasmodium vivax	hypothetical protein, conserved	0.0086	0.0004	0.0644
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.2404	0.1642	0.1642
Loa Loa (eye worm)	hypothetical protein	1.423	1	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0004	0.0004
Plasmodium vivax	aspartyl protease, putative	0.016	0.0055	1
Loa Loa (eye worm)	hypothetical protein	0.2404	0.1642	0.1642
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2404	0.1642	0.1642
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.016	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.016	0.0055	0.0055
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.2404	0.1642	0.1642
Plasmodium falciparum	plasmepsin I	0.016	0.0055	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0004	0.0004
Toxoplasma gondii	aspartyl protease ASP3	0.016	0.0055	1
Brugia malayi	hypothetical protein	0.016	0.0055	0.0055
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1227	0.081	0.4919
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2404	0.1642	0.1642
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.2404	0.1642	0.1642
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.016	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0004	0.0004
Onchocerca volvulus		0.2404	0.1642	1
Leishmania major	UDP-galactopyranose mutase	0.0086	0.0004	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0004	0.0004
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0086	0.0004	0.0004
Mycobacterium ulcerans	carboxylesterase, LipT	0.2404	0.1642	1
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0086	0.0004	0.0644
Echinococcus multilocularis	BC026374 protein (S09 family)	0.2404	0.1642	0.1642
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.016	0.0055	0.0055
Loa Loa (eye worm)	carboxylesterase	1.423	1	1
Brugia malayi	hypothetical protein	0.016	0.0055	0.0055
Brugia malayi	Carboxylesterase family protein	0.2404	0.1642	0.1642
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0086	0.0004	0.0004
Trypanosoma brucei	trypanothione reductase	0.0081	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.2404	0.1642	0.1642
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.016	0.0055	1
Brugia malayi	Carboxylesterase family protein	0.2404	0.1642	0.1642
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0086	0.0004	0.0004
Onchocerca volvulus		0.2404	0.1642	1
Brugia malayi	hypothetical protein	0.0086	0.0004	0.0004
Plasmodium falciparum	plasmepsin III	0.016	0.0055	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.016	0.0055	0.0055
Plasmodium falciparum	plasmepsin VI	0.016	0.0055	1
Schistosoma mansoni	amine oxidase	0.0086	0.0004	0.0004
Echinococcus granulosus	BC026374 protein S09 family	0.2404	0.1642	0.1642
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.016	0.0055	0.0055
Plasmodium falciparum	plasmepsin II	0.016	0.0055	1
Loa Loa (eye worm)	carboxylesterase	0.2404	0.1642	0.1642
Schistosoma mansoni	cathepsin D (A01 family)	0.016	0.0055	0.0055
Onchocerca volvulus		0.2404	0.1642	1
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.016	0.0055	0.0055
Brugia malayi	amine oxidase, flavin-containing family protein	0.0086	0.0004	0.0004
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.016	0.0055	0.0055
Echinococcus granulosus	acetylcholinesterase	1.423	1	1
Onchocerca volvulus		0.2404	0.1642	1
Loa Loa (eye worm)	hypothetical protein	0.016	0.0055	0.0055
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.016	0.0055	0.0055
Brugia malayi	hypothetical protein	0.2404	0.1642	0.1642
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.016	0.0055	0.0055
Echinococcus multilocularis	neuroligin	0.2404	0.1642	0.1642
Echinococcus multilocularis	acetylcholinesterase	1.423	1	1
Plasmodium vivax	aspartyl proteinase, putative	0.016	0.0055	1
Plasmodium vivax	plasmepsin IV, putative	0.016	0.0055	1
Brugia malayi	Carboxylesterase family protein	1.423	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.2404	0.1642	1
Plasmodium falciparum	plasmepsin IX	0.016	0.0055	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.2404	0.1642	1
Plasmodium vivax	aspartyl protease, putative	0.016	0.0055	1
Toxoplasma gondii	histone lysine-specific demethylase	0.0086	0.0004	0.0644
Loa Loa (eye worm)	hypothetical protein	0.2404	0.1642	0.1642
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.016	0.0055	0.0055
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0086	0.0004	1
Echinococcus granulosus	carboxylesterase 5A	1.423	1	1
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.016	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.2404	0.1642	0.1642
Brugia malayi	Pepsin A precursor	0.016	0.0055	0.0055
Plasmodium vivax	aspartyl protease, putative	0.016	0.0055	1
Loa Loa (eye worm)	hypothetical protein	0.2404	0.1642	0.1642
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0086	0.0004	0.5
Plasmodium falciparum	plasmepsin IV	0.016	0.0055	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.114	0.0748	0.4559
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	1.423	1	1
Brugia malayi	SWIRM domain containing protein	0.0086	0.0004	0.0004
Brugia malayi	Carboxylesterase family protein	0.2404	0.1642	0.1642
Echinococcus granulosus	neuroligin	0.2404	0.1642	0.1642
Schistosoma mansoni	neuroligin 3 (S09 family)	0.2404	0.1642	0.1642
Loa Loa (eye worm)	acetylcholinesterase 1	1.423	1	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.2404	0.1642	0.1642
Plasmodium vivax	plasmepsin V, putative	0.016	0.0055	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.2404	0.1642	0.1642
Brugia malayi	aspartic protease BmAsp-2, identical	0.016	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.016	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0004	0.0004
Schistosoma mansoni	cathepsin D (A01 family)	0.016	0.0055	0.0055
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0086	0.0004	0.0644
Schistosoma mansoni	gliotactin	0.2404	0.1642	0.1642
Plasmodium falciparum	protoporphyrinogen oxidase	0.0086	0.0004	0.0644
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0086	0.0004	0.5
Toxoplasma gondii	aspartyl protease	0.016	0.0055	1
Echinococcus multilocularis	carboxylesterase 5A	1.423	1	1
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0086	0.0004	0.0644
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0086	0.0004	0.0004
Plasmodium falciparum	plasmepsin VII	0.016	0.0055	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1227	0.081	0.4919
Echinococcus granulosus	acetylcholinesterase	1.423	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0086	0.0004	0.0644
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.016	0.0055	0.0055
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.2404	0.1642	1
Toxoplasma gondii	aspartyl protease ASP1	0.016	0.0055	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0086	0.0004	0.0004
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.2404	0.1642	1
Plasmodium falciparum	plasmepsin V	0.016	0.0055	1
Loa Loa (eye worm)	hypothetical protein	1.423	1	1
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0086	0.0004	0.0644
Brugia malayi	Eukaryotic aspartyl protease family protein	0.016	0.0055	0.0055
Mycobacterium tuberculosis	Carboxylesterase LipT	0.2404	0.1642	1
Schistosoma mansoni	memapsin-2 (A01 family)	0.398	0.2756	0.2756
Echinococcus multilocularis		0.0086	0.0004	0.0004
Brugia malayi	Carboxylesterase family protein	0.2404	0.1642	0.1642
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0086	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.2404	0.1642	0.1642
Loa Loa (eye worm)	aspartyl protease 6	0.016	0.0055	0.0055
Mycobacterium tuberculosis	Possible oxidoreductase	0.0086	0.0004	0.0022
Plasmodium falciparum	plasmepsin X	0.016	0.0055	1
Onchocerca volvulus		0.2404	0.1642	1
Onchocerca volvulus		0.016	0.0055	0.0317
Schistosoma mansoni	amine oxidase	0.0086	0.0004	0.0004
Echinococcus multilocularis	acetylcholinesterase	1.423	1	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.016	0.0055	0.0055
Loa Loa (eye worm)	carboxylesterase	0.2404	0.1642	0.1642
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2404	0.1642	0.1642
Onchocerca volvulus		0.016	0.0055	0.0317
Plasmodium falciparum	plasmepsin VIII, putative	0.016	0.0055	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0086	0.0004	0.0644
Plasmodium vivax	aspartyl proteinase, putative	0.016	0.0055	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0086	0.0004	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0086	0.0004	0.0022
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.016	0.0055	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 781566