TDR Targets

Basic information

Technical information

TDR Targets ID: 700294
Name: 6-(2-chlorophenyl)-2-(2-ethoxyethyl)-4-methyl -7-phenylpurino[7,8-a]imidazole-1,3-dione
MW: 463.916 | Formula: C24H22ClN5O3
H donors: 0 H acceptors: 3 LogP: 4.65 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccccc1Cl)c1ccccc1
InChi: 1S/C24H22ClN5O3/c1-3-33-14-13-28-22(31)20-21(27(2)24(28)32)26-23-29(20)15-19(16-9-5-4-6-10-16)30(23)18-12-8-7-11-17(18)25/h4-12,15H,3,13-14H2,1-2H3
InChiKey: JOYQMQFRRWUGQH-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-(2-chlorophenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione
6-(2-chlorophenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-quinone

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
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.0217	0.5
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0217	0.0217
Onchocerca volvulus		0.0078	0.0222	0.5
Brugia malayi	TATA binding protein associated factor	0.0078	0.0222	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0152	0.0152
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Brugia malayi	Peptidase family M1 containing protein	0.0078	0.0222	0.0503
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.003	0.5
Brugia malayi	hypothetical protein	0.0678	0.4421	1
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0078	0.0222	0.0222
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.0217	0.5
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0078	0.0222	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.022	0.1215	1
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.1474	1	1
Mycobacterium ulcerans	aminopeptidase N PepN	0.0078	0.0222	1
Trypanosoma cruzi	aminopeptidase, putative	0.0078	0.0222	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0257	0.1475	0.1475
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0078	0.0217	0.0217
Loa Loa (eye worm)	glycosyl transferase family 8 protein	0.0071	0.0173	0.0173
Echinococcus multilocularis	Glycosyl transferase, family 8	0.0071	0.0173	0.0173
Echinococcus granulosus	Glycosyl transferase family 8	0.0071	0.0173	0.0173
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.003	0.003
Echinococcus multilocularis	voltage gated potassium channel	0.0068	0.0152	0.0152
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0222	0.0222
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0078	0.0222	1
Trypanosoma cruzi	aminopeptidase, putative	0.0078	0.0222	0.5
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0078	0.0222	0.0222
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0236	0.1323	0.1323
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0069	0.0157	0.0157
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0068	0.0152	0.0152
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0078	0.0222	0.5
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0078	0.0222	0.5
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0078	0.0222	1
Echinococcus multilocularis	conserved hypothetical protein	0.0053	0.0044	0.0044
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Toxoplasma gondii	aminopeptidase N, putative	0.0078	0.0222	1
Entamoeba histolytica	aminopeptidase, putative	0.0078	0.0222	0.5
Brugia malayi	hypothetical protein	0.0078	0.0222	0.0503
Onchocerca volvulus		0.0078	0.0222	0.5
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.003	0.003
Schistosoma mansoni	glycosyltransferase-related	0.0071	0.0173	0.0173
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0236	0.1323	0.1323
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0069	0.0157	0.0157
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0078	0.0222	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Toxoplasma gondii	aminopeptidase N protein	0.0078	0.0222	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.003	0.5
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0078	0.0217	0.0217
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0078	0.0222	0.5
Echinococcus granulosus	Glycosyltransferase protein LARGE1	0.0053	0.0044	0.0044
Trypanosoma brucei	Aminopeptidase M1, putative	0.0078	0.0222	0.5
Echinococcus multilocularis	Glycosyltransferase protein LARGE1	0.0053	0.0044	0.0044
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Loa Loa (eye worm)	TATA binding protein associated factor	0.0078	0.0222	0.0222
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0078	0.0222	0.0222
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0236	0.1323	0.2993
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0069	0.0157	0.0157
Brugia malayi	Probable ClpP-like protease	0.0078	0.0217	0.0491
Echinococcus granulosus	glycosyltransferase protein LARGE2	0.0069	0.0157	0.0157
Trypanosoma brucei	Aminopeptidase M1, putative	0.0078	0.0222	0.5
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0078	0.0222	0.183
Echinococcus granulosus	aminopeptidase N	0.0078	0.0222	0.0222
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.0217	0.5
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.1474	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.022	0.1215	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0078	0.0222	0.5
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0078	0.0222	0.5
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0078	0.0222	0.183
Mycobacterium ulcerans	aminopeptidase N PepN	0.0078	0.0222	1
Brugia malayi	Glycosyl transferase family 8 protein	0.0071	0.0173	0.0391
Loa Loa (eye worm)	aminopeptidase N	0.0078	0.0222	0.0222
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0236	0.1323	0.1323
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0078	0.0222	0.5
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0222	0.0222
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0078	0.0222	0.0222
Schistosoma mansoni	voltage-gated potassium channel	0.0068	0.0152	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0204	0.1105	0.1105
Echinococcus multilocularis	aminopeptidase N	0.0078	0.0222	0.0222
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0078	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0222	0.0222
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0078	0.0222	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0068	0.0152	0.0152
Brugia malayi	Peptidase family M1 containing protein	0.0078	0.0222	0.0503
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Onchocerca volvulus		0.0078	0.0222	0.5
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.1474	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0257	0.1475	0.1475
Brugia malayi	Peptidase family M1 containing protein	0.0078	0.0222	0.0503
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0068	0.0152	0.0343
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0078	0.0222	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0078	0.0222	0.0222
Schistosoma mansoni	peptidase Clp (S14 family)	0.0078	0.0217	0.0217
Echinococcus granulosus	voltage gated potassium channel	0.0068	0.0152	0.0152
Brugia malayi	hypothetical protein	0.0078	0.0222	0.0503
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0078	0.0222	0.0222
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0078	0.0217	0.5
Toxoplasma gondii	aminopeptidase n, putative	0.0078	0.0222	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0078	0.0222	0.183
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0078	0.0217	1
Trypanosoma brucei	aminopeptidase, putative	0.0078	0.0222	0.5
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0078	0.0222	0.5
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0078	0.0222	1
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0078	0.0222	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0068	0.0152	0.0152

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.

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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 700294