TDR Targets

Basic information

Technical information

TDR Targets ID: 683761
Name: 4,7-dimethyl-2-(2-morpholin-4-ylethyl)-6-[4-( trifluoromethyl)phenyl]purino[7,8-a]imidazole -1,3-dione
MW: 476.452 | Formula: C22H23F3N6O3
H donors: 0 H acceptors: 3 LogP: 3.09 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2cc(n1c1ccc(cc1)C(F)(F)F)C
InChi: 1S/C22H23F3N6O3/c1-14-13-30-17-18(26-20(30)31(14)16-5-3-15(4-6-16)22(23,24)25)27(2)21(33)29(19(17)32)8-7-28-9-11-34-12-10-28/h3-6,13H,7-12H2,1-2H3
InChiKey: SXHKGXVTWOJHLR-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

4,7-dimethyl-2-(2-morpholinoethyl)-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
4,7-dimethyl-2-(2-morpholinoethyl)-6-[4-(trifluoromethyl)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
Mycobacterium leprae	Probable Acetylornithine aminotransferase ArgD	0.0021	0.031	0.0925
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.1436	0.2014
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0104	0.0104
Schistosoma mansoni	hypothetical protein	0.0352	0.8134	0.8134
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0025	0.0388	0.1158
Leishmania major	hypothetical protein, conserved	0.0035	0.0631	1
Echinococcus granulosus	ornithine aminotransferase	0.0021	0.031	0.031
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.2191	0.3087
Schistosoma mansoni	hypothetical protein	0.0179	0.4029	0.4029
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0088	0.1878	0.2643
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0631	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0631	0.1882
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0137	0.0157
Schistosoma mansoni	cpg binding protein	0.0032	0.0562	0.0562
Giardia lamblia	Kinesin-5	0.0053	0.1049	0.5
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.1162	1
Toxoplasma gondii	kinesin motor domain-containing protein	0.0053	0.1049	0.8677
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0424	0.0566
Schistosoma mansoni	hypothetical protein	0.0179	0.4029	0.4029
Loa Loa (eye worm)	hypothetical protein	0.0032	0.056	0.0761
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0631	0.1882
Onchocerca volvulus		0.0035	0.0631	0.0313
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0021	0.031	0.061
Echinococcus granulosus	Aminotransferase class III	0.0021	0.031	0.031
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.056	0.056
Echinococcus granulosus	kinesin family 1	0.0405	0.9377	0.9377
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0631	0.1882
Onchocerca volvulus		0.0306	0.7036	1
Echinococcus multilocularis	cpg binding protein	0.0032	0.0562	0.0562
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0025	0.0388	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0631	0.0862
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0021	0.031	0.0925
Echinococcus multilocularis	kinesin family 1	0.0405	0.9377	0.9377
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0631	0.1882
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0631	0.1882
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0631	0.1242
Echinococcus multilocularis	dnaJ subfamily B	0.0431	1	1
Plasmodium vivax	kinesin-5	0.0053	0.1049	1
Schistosoma mansoni	kinesin eg-5	0.0053	0.1049	0.1049
Brugia malayi	beta-lactamase family protein	0.0035	0.0631	0.0865
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0025	0.0388	1
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0631	0.1242
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0104	0.0104
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0021	0.031	0.061
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0021	0.031	0.061
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0104	0.011
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.056	0.0765
Onchocerca volvulus		0.0035	0.0631	0.0313
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.094	0.094
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0088	0.1878	0.1878
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0631	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1878	0.264
Schistosoma mansoni	cpg binding protein	0.003	0.0521	0.0521
Brugia malayi	beta-lactamase	0.0035	0.0631	0.0865
Brugia malayi	beta-lactamase family protein	0.0035	0.0631	0.0865
Schistosoma mansoni	hypothetical protein	0.0431	1	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0631	0.1242
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0631	0.0631
Brugia malayi	CXXC zinc finger family protein	0.003	0.0521	0.0709
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0021	0.031	0.0925
Loa Loa (eye worm)	hypothetical protein	0.0048	0.094	0.1302
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0631	0.0862
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.1324	0.1324
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0631	0.1882
Echinococcus multilocularis	tumor protein p63	0.0328	0.7553	0.7553
Schistosoma mansoni	hypothetical protein	0.0032	0.056	0.056
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0025	0.0388	0.092
Echinococcus multilocularis	ornithine aminotransferase	0.0021	0.031	0.031
Echinococcus granulosus	L aminoadipate semialdehyde	0.0088	0.1878	0.1878
Brugia malayi	hypothetical protein	0.0306	0.7036	1
Echinococcus multilocularis	Aminotransferase class III	0.0021	0.031	0.031
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.015	0.3354	0.6603
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0093	0.0094
Echinococcus granulosus	GPCR family 2	0.0032	0.056	0.056
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0631	0.0862
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0631	0.1882
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.056	0.0761
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.508	1
Schistosoma mansoni	lamin	0.0026	0.0424	0.0424
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0631	0.1242
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0021	0.031	0.031
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0021	0.031	0.0925
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0021	0.031	0.061
Echinococcus multilocularis	lamin	0.0026	0.0424	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0424	0.0566
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.2191	0.309
Schistosoma mansoni	cpg binding protein	0.0032	0.0562	0.0562
Mycobacterium leprae	conserved hypothetical protein	0.0025	0.0388	0.1158
Echinococcus granulosus	tumor protein p63	0.0328	0.7553	0.7553
Mycobacterium leprae	PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT)	0.0021	0.031	0.0925
Trichomonas vaginalis	esterase, putative	0.0035	0.0631	0.1882
Echinococcus multilocularis	geminin	0.0179	0.4029	0.4029
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0388	0.106
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0631	0.1882
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0631	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0306	0.7036	1
Echinococcus granulosus	cpg binding protein	0.0032	0.0562	0.0562
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.015	0.3354	1
Entamoeba histolytica	kinesin, putative	0.0053	0.1049	1
Echinococcus multilocularis	musashi	0.0026	0.0424	0.0424
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0631	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0631	0.0862
Plasmodium falciparum	kinesin-5	0.0053	0.1049	1
Brugia malayi	intermediate filament protein	0.0026	0.0424	0.057
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0021	0.031	0.7983
Echinococcus multilocularis	lamin dm0	0.0026	0.0424	0.0424
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0027	0.0027
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0021	0.031	0.0925
Onchocerca volvulus		0.0048	0.094	0.078
Echinococcus granulosus	lamin	0.0026	0.0424	0.0424
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0424	0.0566
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0631	0.1242
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.2191	0.309
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0631	0.1882
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0521	0.0705
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0631	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0631	0.0862
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0137	0.0161
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	0.0021	0.031	0.0925
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0631	0.1882
Onchocerca volvulus		0.0088	0.1878	0.2199
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0021	0.031	0.0925
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.015	0.3354	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0631	0.0862
Schistosoma mansoni	lamin	0.0026	0.0424	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0413	0.055
Brugia malayi	Kinesin motor domain containing protein	0.0053	0.1049	0.1461
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0631	0.1242
Echinococcus multilocularis	GPCR, family 2	0.0032	0.056	0.056
Mycobacterium tuberculosis	Probable aminotransferase	0.015	0.3354	0.6603
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0027	0.0027
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0424	0.057
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0631	0.0631
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0088	0.1878	0.1878
Schistosoma mansoni	hypothetical protein	0.0032	0.056	0.056
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0025	0.0388	0.0765
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0631	0.1242
Toxoplasma gondii	ABC1 family protein	0.0035	0.0631	0.377
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0631	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2191	0.3087
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0025	0.0388	0.1158
Echinococcus granulosus	lamin dm0	0.0026	0.0424	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0631	0.0862
Mycobacterium ulcerans	lipase LipD	0.0035	0.0631	0.1882
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0025	0.0388	1
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.015	0.3354	1
Onchocerca volvulus		0.0035	0.0631	0.0313
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0053	0.1049	0.1458
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0631	0.0862
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1436	0.2011
Mycobacterium ulcerans	hypothetical protein	0.015	0.3354	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0631	0.0631
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0025	0.0388	0.092
Schistosoma mansoni	hypothetical protein	0.0032	0.056	0.056
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.056	0.056
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0424	0.0424
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0631	0.1242
Mycobacterium ulcerans	L-lysine aminotransferase	0.0021	0.031	0.0925
Schistosoma mansoni	hypothetical protein	0.0069	0.1436	0.1436
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0631	0.4345
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0631	0.1882
Echinococcus granulosus	geminin	0.0179	0.4029	0.4029
Onchocerca volvulus		0.003	0.0521	0.0147
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.056	0.056
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0021	0.031	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0093	0.0094
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0388	0.106
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.056	0.0765
Echinococcus multilocularis	ornithine aminotransferase	0.0021	0.031	0.031
Schistosoma mansoni	hypothetical protein	0.0032	0.056	0.056
Echinococcus granulosus	intermediate filament protein	0.0026	0.0424	0.0424
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0631	0.1242

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 683761