TDR Targets

Basic information

Technical information

TDR Targets ID: 624497
Name: 2,6,8-trimethyl-4-[2-oxo-2-(4-phenylpiperazin -1-yl)ethyl]sulfanylpyrimido[5,6-e]pyrimidine -5,7-dione
MW: 440.519 | Formula: C21H24N6O3S
H donors: 0 H acceptors: 5 LogP: 1.79 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc(SCC(=O)N2CCN(CC2)c2ccccc2)c2c(n1)n(C)c(=O)n(c2=O)C
InChi: 1S/C21H24N6O3S/c1-14-22-18-17(20(29)25(3)21(30)24(18)2)19(23-14)31-13-16(28)27-11-9-26(10-12-27)15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3
InChiKey: ATAVTGHIDLFCNB-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

2,6,8-trimethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimido[5,6-e]pyrimidine-5,7-dione
2,6,8-trimethyl-4-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]pyrimido[5,6-e]pyrimidine-5,7-dione
4-[[2-keto-2-(4-phenylpiperazin-1-yl)ethyl]thio]-2,6,8-trimethyl-pyrimido[5,6-e]pyrimidine-5,7-quinone
MLS000102196
SMR000017182

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
Loa Loa (eye worm)	hypothetical protein	0.003	0.5062	0.4692
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	1	1
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.4743	0.4349
Echinococcus multilocularis	dna polymerase kappa	0.004	0.7589	0.7369
Echinococcus multilocularis	dna polymerase eta	0.0014	0.0857	0.0022
Schistosoma mansoni	intermediate filament proteins	0.0029	0.4743	0.4251
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0011	0	0.5
Echinococcus granulosus	dna polymerase eta	0.0014	0.0857	0.0022
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.7589	1
Brugia malayi	intermediate filament protein	0.0029	0.4743	0.4251
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.139	0.0792
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0014	0.0857	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0034	0.5919	0.7519
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	1	1
Echinococcus granulosus	intermediate filament protein	0.0029	0.4743	0.4263
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0857	0.0171
Echinococcus granulosus	lamin dm0	0.0029	0.4743	0.4263
Trypanosoma brucei	unspecified product	0.0034	0.5919	0.7519
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.7589	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	1	1
Echinococcus multilocularis	lamin dm0	0.0029	0.4743	0.4263
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.2527	0.2481
Giardia lamblia	DINP protein human, muc B family	0.0021	0.2527	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.7589	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.4605	0.42
Echinococcus multilocularis	lamin	0.0029	0.4743	0.4263
Brugia malayi	polk-prov protein	0.003	0.5062	0.4599
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.1237	0.058
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	1	1
Echinococcus granulosus	dna polymerase kappa	0.004	0.7589	0.7369
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.2527	1
Onchocerca volvulus		0.0029	0.4743	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	1	1
Schistosoma mansoni	lamin	0.0029	0.4743	0.4251
Leishmania major	DNA polymerase kappa, putative	0.0021	0.2527	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.7589	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.7589	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.7589	1
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.7589	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.7589	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.7589	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.5062	0.6246
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0014	0.0857	0.0022
Echinococcus granulosus	lamin	0.0029	0.4743	0.4263
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.004	0.7589	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.139	0.0792
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.139	0.0792
Echinococcus multilocularis	musashi	0.0029	0.4743	0.4263
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.7589	1
Schistosoma mansoni	lamin	0.0029	0.4743	0.4251
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.5062	0.6246
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.7589	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.4743	0.4349
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.7589	1
Onchocerca volvulus		0.0029	0.4743	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.7589	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.7589	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.2527	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0836	0.0149
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.1237	0.0416
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.4743	0.4251
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.7589	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	1	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0014	0.0857	0.0171
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0014	0.0857	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0029	0.4743	0.4349
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.7589	1
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.7589	0.5
Trichomonas vaginalis	DNA polymerase eta, putative	0.004	0.7589	0.5

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 624497