TDR Targets

Basic information

Technical information

TDR Targets ID: 624528
Name: 4-[(4-chlorophenyl)methylsulfanyl]-2,6,8-trim ethylpyrimido[5,6-e]pyrimidine-5,7-dione
MW: 362.834 | Formula: C16H15ClN4O2S
H donors: 0 H acceptors: 4 LogP: 2.79 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2C
InChi: 1S/C16H15ClN4O2S/c1-9-18-13-12(15(22)21(3)16(23)20(13)2)14(19-9)24-8-10-4-6-11(17)7-5-10/h4-7H,8H2,1-3H3
InChiKey: QGUDBZIFUGVETJ-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-[(4-chlorophenyl)methylsulfanyl]-2,6,8-trimethyl-pyrimido[5,6-e]pyrimidine-5,7-dione
4-[(4-chlorophenyl)methylthio]-2,6,8-trimethylpyrimido[5,6-e]pyrimidine-5,7-dione
4-[(4-chlorobenzyl)thio]-2,6,8-trimethyl-pyrimido[5,6-e]pyrimidine-5,7-quinone
ZINC04138833

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 multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0036	1	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0036	1	1
Schistosoma mansoni	smdr2	0.0036	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	1	1
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0029	0.72	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0036	1	1
Onchocerca volvulus		0.0036	1	0.5
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0018	0.2704	0.2704
Trypanosoma cruzi	p450 reductase, putative	0.0029	0.72	1
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0011	0	0.5
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0015	0.1368	0.1368
Schistosoma mansoni	cytochrome P450 reductase	0.0029	0.72	0.72
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0011	0	0.5
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0029	0.72	0.72
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0029	0.72	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0025	0.5606	0.5606
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0036	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	1	1
Entamoeba histolytica	P-glycoprotein-2	0.0036	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	1	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0036	0.9841	0.9841
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0011	0	0.5
Brugia malayi	FAD binding domain containing protein	0.0018	0.2704	0.2704
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0036	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0036	1	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0036	1	1
Echinococcus multilocularis	methionine synthase reductase	0.0018	0.2704	0.2704
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0029	0.72	0.72
Trichomonas vaginalis	abcb9, putative	0.0036	1	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0036	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0036	1	1
Echinococcus granulosus	methionine synthase reductase	0.0018	0.2704	0.2704
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0029	0.72	1
Entamoeba histolytica	P-glycoprotein-2	0.0036	1	1
Trichomonas vaginalis	sulfite reductase, putative	0.0029	0.72	0.72
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	1	1
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0029	0.72	0.72
Plasmodium vivax	multidrug resistance protein 1, putative	0.0036	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	1	1
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0029	0.72	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0036	1	1
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0026	0.5864	0.5864
Echinococcus granulosus	multidrug resistance protein 1	0.0036	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0036	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	1	1
Entamoeba histolytica	P-glycoprotein-1	0.0036	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0036	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0036	1	1
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0011	0	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	1	1
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0029	0.72	0.72
Plasmodium vivax	flavodoxin domain containing protein	0.0026	0.5864	0.5864
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0036	1	1
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0029	0.72	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0036	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0036	1	1
Entamoeba histolytica	P-glycoprotein-5	0.0036	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0036	1	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0029	0.72	1
Echinococcus granulosus	multidrug resistance protein 1	0.0025	0.5606	0.5606
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0036	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.72	0.72
Trichomonas vaginalis	taga, putative	0.0036	1	1
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0018	0.2704	0.2704
Echinococcus granulosus	multidrug resistance protein 1	0.0025	0.5606	0.5606
Entamoeba histolytica	P-glyco protein 6, putative	0.0036	1	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0029	0.72	1
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0029	0.72	0.72
Schistosoma mansoni	multidrug resistance protein	0.0036	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	1	1
Leishmania major	p-glycoprotein	0.0036	1	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0036	1	1
Brugia malayi	FAD binding domain containing protein	0.0029	0.72	0.72
Echinococcus granulosus	multidrug resistance protein 1	0.0036	1	1
Brugia malayi	flavodoxin family protein	0.0029	0.72	0.72
Trichomonas vaginalis	abcb9, putative	0.0036	1	1
Brugia malayi	ABC transporter family protein	0.0036	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0036	1	1
Trichomonas vaginalis	abcb9, putative	0.0036	1	1
Giardia lamblia	Hypothetical protein	0.0026	0.5864	1
Leishmania major	p450 reductase, putative	0.0029	0.72	0.72
Plasmodium falciparum	nitric oxide synthase, putative	0.0029	0.72	0.72
Loa Loa (eye worm)	multidrug resistance protein 3	0.0036	1	1
Schistosoma mansoni	multidrug resistance protein	0.0036	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0036	1	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0036	0.9841	0.9841
Leishmania major	cytochrome P450 reductase, putative	0.0026	0.5864	0.5864
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0036	1	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0036	1	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0036	1	1
Schistosoma mansoni	diflavin oxidoreductase	0.0014	0.1279	0.1279
Echinococcus multilocularis	multidrug resistance protein 1	0.0025	0.5606	0.5606
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0029	0.72	0.72
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0029	0.72	0.72
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0036	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0036	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0036	1	1
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0029	0.72	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0036	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0036	1	1
Plasmodium falciparum	multidrug resistance protein 1	0.0036	1	1
Toxoplasma gondii	flavodoxin domain-containing protein	0.0014	0.1279	0.1279
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.9841	0.9841
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0036	1	1
Toxoplasma gondii	flavodoxin domain-containing protein	0.0014	0.1279	0.1279
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0036	1	1
Schistosoma mansoni	multidrug resistance protein	0.0036	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	1	1
Giardia lamblia	Nitric oxide synthase, inducible	0.0026	0.5864	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 624528