TDR Targets

Basic information

Technical information

TDR Targets ID: 824496
Name: 2-[[5-(2,5-dimethylphenyl)sulfonyl-4-oxo-3H-p yrimidin-2-yl]sulfanyl]-N-(3-ethylphenyl)acet amide
MW: 457.566 | Formula: C22H23N3O4S2
H donors: 2 H acceptors: 6 LogP: 4.8 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCc1cccc(c1)NC(=O)CSc1ncc(c(n1)O)S(=O)(=O)c1cc(C)ccc1C
InChi: 1S/C22H23N3O4S2/c1-4-16-6-5-7-17(11-16)24-20(26)13-30-22-23-12-19(21(27)25-22)31(28,29)18-10-14(2)8-9-15(18)3/h5-12H,4,13H2,1-3H3,(H,24,26)(H,23,25,27)
InChiKey: LPIVJAJBKUZQOK-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-[[5-(2,5-dimethylphenyl)sulfonyl-4-oxo-3H-pyrimidin-2-yl]thio]-N-(3-ethylphenyl)acetamide
2-[[5-(2,5-dimethylphenyl)sulfonyl-4-keto-3H-pyrimidin-2-yl]thio]-N-(3-ethylphenyl)acetamide
2-[[5-(2,5-dimethylphenyl)sulfonyl-4-oxo-3H-pyrimidin-2-yl]sulfanyl]-N-(3-ethylphenyl)ethanamide

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	phosphatidylinositol 3 and 4 kinase	0.0375	0.6981	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0135	0.1916	0.393
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1863	0.6989
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0069	0.0519	0.2445
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0065	0.0438	0.0337
Echinococcus multilocularis	serine protein kinase ATM	0.0065	0.0438	0.0521
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0065	0.0437	0.1188
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1863	0.6989
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0145	0.2121	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0145	0.2121	0.2058
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.012	0.1597	0.2049
Trypanosoma cruzi	target of rapamycin kinase 3	0.0135	0.1916	0.2519
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1863	0.6989
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0087	0.0901	0.0829
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.0849	0.3017
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0054	0.021	0.0513
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0065	0.0438	0.0337
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1657	0.6182
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0085	0.0863	0.1136
Entamoeba histolytica	protein kinase rad3, putative	0.0065	0.0438	0.1195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1863	0.6989
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0145	0.2121	0.789
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0085	0.0863	0.1136
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0065	0.0438	0.0521
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0145	0.2121	0.789
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0054	0.021	0.0513
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0169	0.2632	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0863	0.079
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0089	0.0944	0.339
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.0849	0.3017
Echinococcus granulosus	serine protein kinase ATM	0.0065	0.0438	0.0521
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0145	0.2121	0.2958
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0065	0.0438	0.0521
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1658	0.6186
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0438	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1658	0.6186
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0375	0.6981	0.6957
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.012	0.1597	0.5948
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.1051	0.3807
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0065	0.0438	0.0362
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0145	0.2121	0.2822
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.012	0.1597	0.5948
Loa Loa (eye worm)	phosphatidylinositol 3	0.0187	0.3008	0.2952
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1658	0.6186
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.0849	0.3017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0125	0.171	0.6389
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.012	0.1597	0.2049
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0135	0.1916	0.7044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1658	0.6186
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0518	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0089	0.0944	0.339
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0169	0.2632	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0054	0.021	0.0132
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0054	0.021	0.0513
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1863	0.6989
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.012	0.1597	0.153
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.1452	0.5379
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0065	0.0438	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.1452	0.5379
Schistosoma mansoni	serine/threonine protein kinase	0.0518	1	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0375	0.6981	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0207	0.3434	0.486
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0145	0.2121	0.2058
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.012	0.1597	0.5948
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.0438	0.1407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0097	0.1107	0.4027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.0438	0.1407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1657	0.6182
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0245	0.0167
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0375	0.6981	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.01	0.1172	0.5032
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0113	0.1452	0.513
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0065	0.0438	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0135	0.1915	0.7192
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0065	0.0438	0.0362
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0169	0.2632	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0121	0.1618	0.6028
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0145	0.2121	0.5668
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0082	0.0794	0.2412
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0054	0.021	0.0132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0125	0.171	0.6389
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.012	0.1597	0.726
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0145	0.2121	0.2958
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0135	0.1915	0.7192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0135	0.1915	0.7192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1863	0.6989
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0145	0.2121	0.2822
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0121	0.1618	0.7368
Giardia lamblia	GTOR	0.0145	0.2121	1
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0588	0.1994
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0087	0.0901	0.322
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.2121	0.7998
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0135	0.1915	0.7192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.1863	0.6989
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0145	0.2121	0.2058
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0588	0.0513
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0085	0.0863	0.079
Entamoeba histolytica	hypothetical protein	0.01	0.1172	0.5032
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0145	0.2121	0.5668
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0096	0.1088	0.4596
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0065	0.0438	0.0943
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0135	0.1915	0.7192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.2121	0.7998
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0375	0.6981	0.6957
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0133	0.1863	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.2121	0.7998
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0245	0.0167
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0207	0.3434	0.486
Loa Loa (eye worm)	phosphatidylinositol 3	0.0169	0.2632	0.2573
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.1452	0.5379
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0375	0.6981	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0207	0.3434	0.3381
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.1657	0.6182
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0072	0.0588	0.1052
Entamoeba histolytica	hypothetical protein	0.0065	0.0438	0.1195
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0145	0.2121	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.1452	0.5379

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 824496