TDR Targets

Basic information

Technical information

TDR Targets ID: 824513
Name: 2-[[5-(4-tert-butylphenyl)sulfonyl-4-oxo-3H-p yrimidin-2-yl]sulfanyl]-N-(2,5-dimethylphenyl )acetamide
MW: 485.619 | Formula: C24H27N3O4S2
H donors: 2 H acceptors: 6 LogP: 5.68 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cc(C)ccc1C)CSc1ncc(c(n1)O)S(=O)(=O)c1ccc(cc1)C(C)(C)C
InChi: 1S/C24H27N3O4S2/c1-15-6-7-16(2)19(12-15)26-21(28)14-32-23-25-13-20(22(29)27-23)33(30,31)18-10-8-17(9-11-18)24(3,4)5/h6-13H,14H2,1-5H3,(H,26,28)(H,25,27,29)
InChiKey: TWMMJHTVCSWMLP-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-(4-tert-butylphenyl)sulfonyl-4-oxo-3H-pyrimidin-2-yl]thio]-N-(2,5-dimethylphenyl)acetamide
2-[[5-(4-tert-butylphenyl)sulfonyl-4-keto-3H-pyrimidin-2-yl]thio]-N-(2,5-dimethylphenyl)acetamide
2-[[5-(4-tert-butylphenyl)sulfonyl-4-oxo-3H-pyrimidin-2-yl]sulfanyl]-N-(2,5-dimethylphenyl)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 multilocularis	tyrosine protein kinase Fyn	0.0079	0.1007	0.5437
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0073	0.0912	0.4906
Schistosoma mansoni	growth factor receptor-bound protein	0.003	0.0209	0.0426
Echinococcus granulosus	tyrosine protein kinase Srms	0.0021	0.0068	0.0212
Schistosoma mansoni	adapter molecule crk	0.003	0.0209	0.0426
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0093	0.1244	0.6752
Loa Loa (eye worm)	TK protein kinase	0.0079	0.1007	0.2002
Loa Loa (eye worm)	glutaminase	0.0319	0.4912	1
Onchocerca volvulus		0.0021	0.0068	0.0025
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0021	0.0068	0.0212
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0129	0.1828	1
Echinococcus multilocularis	neuroglian	0.0023	0.0107	0.0426
Echinococcus granulosus	growth factor receptor bound protein 2	0.003	0.0209	0.0997
Loa Loa (eye worm)	TK/FER protein kinase	0.0021	0.0068	0.0078
Loa Loa (eye worm)	SRC-1	0.0093	0.1244	0.2486
Echinococcus granulosus	NCK adaptor protein	0.003	0.0209	0.0997
Echinococcus granulosus	tyrosine protein kinase shark	0.0021	0.0068	0.0212
Brugia malayi	Variant SH3 domain containing protein	0.003	0.0209	0.0367
Loa Loa (eye worm)	TK/FER protein kinase	0.0021	0.0068	0.0078
Schistosoma mansoni	nck2/grb4	0.003	0.0209	0.0426
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0093	0.1244	0.6752
Schistosoma mansoni	nephrin	0.0023	0.0107	0.0217
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0093	0.1244	0.6752
Schistosoma mansoni	tyrosine kinase	0.0021	0.0068	0.0139
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0018	0.003	0.0061
Onchocerca volvulus		0.0274	0.4176	0.9599
Brugia malayi	SH2 domain containing protein	0.0021	0.0068	0.0078
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0079	0.1007	0.5437
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.003	0.0209	0.0367
Echinococcus granulosus	tyrosine protein kinase HCK	0.0064	0.0765	0.4088
Echinococcus granulosus	c src tyrosine kinase	0.0035	0.0305	0.1527
Echinococcus granulosus	neuroglian	0.0023	0.0107	0.0426
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0304	0.4668	0.95
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0024	0.0128	0.0544
Loa Loa (eye worm)	hypothetical protein	0.003	0.0209	0.0367
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0068	0.0078
Echinococcus multilocularis	tyrosine protein kinase shark	0.0021	0.0068	0.0212
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0093	0.1244	0.6752
Onchocerca volvulus		0.0021	0.0068	0.0025
Onchocerca volvulus	Tyrosine kinase homolog	0.0285	0.4347	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0093	0.1244	0.6752
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0068	0.0078
Loa Loa (eye worm)	TK protein kinase	0.0064	0.0765	0.1505
Echinococcus multilocularis	growth factor receptor bound protein 2	0.003	0.0209	0.0997
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0068	0.0078
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.003	0.0209	0.0367
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0093	0.1244	0.6752
Echinococcus granulosus	roundabout 2	0.0029	0.0204	0.0969
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0073	0.0912	0.4906
Schistosoma mansoni	tyrosine kinase	0.0021	0.0068	0.0139
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0093	0.1244	0.6752
Loa Loa (eye worm)	TK/FER protein kinase	0.0021	0.0068	0.0078
Loa Loa (eye worm)	TK/FER protein kinase	0.0021	0.0068	0.0078
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0021	0.0068	0.0212
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0021	0.0068	0.0069
Brugia malayi	glutaminase DH11.1	0.0319	0.4912	1
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0068	0.0078
Onchocerca volvulus		0.0021	0.0068	0.0025
Brugia malayi	SRC-1	0.0093	0.1244	0.2486
Loa Loa (eye worm)	TK/FER protein kinase	0.0021	0.0068	0.0078
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0304	0.4668	0.95
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0204	0.0357
Brugia malayi	SH2 domain containing protein	0.0021	0.0068	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0068	0.0078
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0021	0.0068	0.0212
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0021	0.0068	0.0212
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0093	0.1244	0.6752
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0079	0.1007	0.5437
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0129	0.1828	1
Trichomonas vaginalis	glutaminase, putative	0.0319	0.4912	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0093	0.1244	0.6752
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0062	0.0127
Echinococcus granulosus	tyrosine kinase	0.0079	0.1007	0.5437
Brugia malayi	Sex muscle abnormal protein 5	0.003	0.0209	0.0367
Echinococcus granulosus	mitogen activated protein kinase 14	0.0129	0.1828	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0128	0.02
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0093	0.1244	0.6752
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0099	0.1334	0.7255
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0093	0.1244	0.6752
Schistosoma mansoni	cell adhesion molecule	0.0024	0.0128	0.026
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0633	1	1
Echinococcus granulosus	twitchin	0.0029	0.0197	0.0929
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0093	0.1244	0.6752
Echinococcus multilocularis	c src tyrosine kinase	0.0035	0.0305	0.1527
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0035	0.0305	0.1527
Echinococcus multilocularis	tyrosine kinase	0.0021	0.0068	0.0212
Echinococcus multilocularis	roundabout 2	0.0029	0.0204	0.0969
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0633	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0093	0.1244	0.6752
Echinococcus granulosus	tyrosine protein kinase Blk	0.0079	0.1007	0.5437
Brugia malayi	P38 map kinase family protein 2	0.0129	0.1828	0.3682
Onchocerca volvulus		0.0021	0.0068	0.0025
Schistosoma mansoni	glutaminase	0.0319	0.4912	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.0021	0.0068	0.0078
Schistosoma mansoni	vesicular amine transporter	0.0018	0.003	0.0061
Echinococcus granulosus	tyrosine kinase	0.0021	0.0068	0.0212
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0633	1	1
Schistosoma mansoni	tyrosine kinase	0.0035	0.0305	0.062
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0633	1	1
Loa Loa (eye worm)	glutaminase 2	0.0319	0.4912	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0093	0.1244	0.6752
Loa Loa (eye worm)	TK/FER protein kinase	0.0021	0.0068	0.0078
Onchocerca volvulus		0.0021	0.0068	0.0025
Loa Loa (eye worm)	TK/FER protein kinase	0.0021	0.0068	0.0078
Loa Loa (eye worm)	TK/FER protein kinase	0.0021	0.0068	0.0078
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.003	0.0209	0.0426
Schistosoma mansoni	growth factor receptor-bound protein	0.003	0.0209	0.0426
Brugia malayi	Variant SH3 domain containing protein	0.003	0.0209	0.0367
Onchocerca volvulus		0.0021	0.0068	0.0025
Schistosoma mansoni	tyrosine kinase	0.0093	0.1244	0.2532
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0204	0.0357
Brugia malayi	hypothetical protein	0.0021	0.0068	0.0078
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0093	0.1244	0.6752
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0068	0.0078
Schistosoma mansoni	tyrosine kinase	0.0093	0.1244	0.2532
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0129	0.1828	1
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0129	0.1828	0.3682
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0035	0.0305	0.1527
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0093	0.1244	0.6752
Trypanosoma brucei	wee1-like protein kinase	0.0633	1	1
Entamoeba histolytica	protein kinase, putative	0.0064	0.0765	1
Echinococcus granulosus	mitogen activated protein kinase 11	0.0129	0.1828	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0079	0.1007	0.5437
Brugia malayi	protein-tyrosine kinase	0.0079	0.1007	0.2002
Echinococcus multilocularis	NCK adaptor protein	0.003	0.0209	0.0997
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0129	0.1828	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0035	0.0305	0.0562
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0064	0.0765	0.4088
Schistosoma mansoni	tyrosine kinase	0.0035	0.0305	0.062
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0035	0.0305	0.062
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0035	0.0305	0.1527
Loa Loa (eye worm)	TK/FER protein kinase	0.0021	0.0068	0.0078
Mycobacterium ulcerans	glutaminase	0.0319	0.4912	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0021	0.0068	0.0078
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0018	0.003	0.0061

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 824513