TDR Targets

Basic information

Technical information

TDR Targets ID: 874865
Name: ethyl 5-(4-dimethylaminophenyl)-7-methyl-2-[( 3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thia zolo[3,2-a]pyrimidine-6-carboxylate
MW: 492.547 | Formula: C25H24N4O5S
H donors: 0 H acceptors: 4 LogP: 4.42 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1cccc(c1)[N+](=O)[O-])s2
InChi: 1S/C25H24N4O5S/c1-5-34-24(31)21-15(2)26-25-28(22(21)17-9-11-18(12-10-17)27(3)4)23(30)20(35-25)14-16-7-6-8-19(13-16)29(32)33/h6-14,22H,5H2,1-4H3/b20-14-
InChiKey: XSDFVFCOCZQLOY-ZHZULCJRSA-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

ethyl (2Z)-5-(4-dimethylaminophenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2Z)-5-(4-dimethylaminophenyl)-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(4-dimethylaminophenyl)-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
(2Z)-5-(4-dimethylaminophenyl)-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
5-(4-dimethylaminophenyl)-7-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
(2Z)-5-(4-dimethylaminophenyl)-3-keto-7-methyl-2-(3-nitrobenzylidene)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
5-(4-dimethylaminophenyl)-3-keto-7-methyl-2-(3-nitrobenzylidene)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
Oprea1_063573

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	tyrosine protein kinase HCK	0.0037	0.7735	0.7735
Schistosoma mansoni	nck2/grb4	0.0009	0.0796	0.0796
Schistosoma mansoni	tyrosine kinase	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0796	0.0796
Loa Loa (eye worm)	TK protein kinase	0.0042	0.8882	0.8882
Leishmania major	myosin heavy chain kinase a-like protein	0.0039	0.819	1
Entamoeba histolytica	protein kinase, putative	0.0011	0.1349	0.1744
Onchocerca volvulus		0.0006	0	0.5
Entamoeba histolytica	hypothetical protein	0.0011	0.1349	0.1744
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0046	1	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0009	0.0796	0.0796
Trypanosoma cruzi	myosin heavy chain kinase A, putative	0.0039	0.819	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0046	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0046	1	1
Entamoeba histolytica	hypothetical protein	0.0011	0.1349	0.1744
Entamoeba histolytica	hypothetical protein, conserved	0.0011	0.1349	0.1744
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0009	0.0796	0.0796
Brugia malayi	Sex muscle abnormal protein 5	0.0009	0.0796	0.0796
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0046	1	1
Echinococcus multilocularis	NCK adaptor protein	0.0009	0.0796	0.0796
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0009	0.0796	0.0796
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0046	1	1
Trypanosoma cruzi	myosin heavy chain kinase A, putative	0.0039	0.819	0.5
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0796	0.0796
Schistosoma mansoni	elongation factor 2 kinase	0.0011	0.1349	0.1349
Schistosoma mansoni	elongation factor 2 kinase	0.0011	0.1349	0.1349
Echinococcus granulosus	tyrosine kinase	0.0042	0.8882	0.8882
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0796	0.0796
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	1	1
Schistosoma mansoni	tyrosine kinase	0.0046	1	1
Entamoeba histolytica	protein kinase, putative	0.0037	0.7735	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0046	1	1
Onchocerca volvulus		0.0006	0	0.5
Schistosoma mansoni	adapter molecule crk	0.0009	0.0796	0.0796
Echinococcus multilocularis	c src tyrosine kinase	0.001	0.1118	0.1118
Echinococcus multilocularis	eukaryotic elongation factor 2 kinase	0.0039	0.819	0.819
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0042	0.8882	0.8882
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0046	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0046	1	1
Entamoeba histolytica	hypothetical protein	0.0011	0.1349	0.1744
Entamoeba histolytica	hypothetical protein	0.0011	0.1349	0.1744
Entamoeba histolytica	hypothetical protein, conserved	0.0011	0.1349	0.1744
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0046	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.8882	0.8882
Echinococcus granulosus	c src tyrosine kinase	0.001	0.1118	0.1118
Entamoeba histolytica	hypothetical protein, conserved	0.0011	0.1349	0.1744
Echinococcus granulosus	tyrosine protein kinase Blk	0.0042	0.8882	0.8882
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0042	0.8882	0.8882
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0796	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0039	0.819	0.819
Entamoeba histolytica	hypothetical protein	0.0011	0.1349	0.1744
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0796	0.0796
Brugia malayi	protein-tyrosine kinase	0.0042	0.8882	0.8882
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0037	0.7735	0.7735
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.001	0.1118	0.1118
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.001	0.1118	0.1118
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0042	0.8882	0.8882
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	1	1
Trypanosoma brucei	myosin heavy chain kinase A, putative	0.0039	0.819	0.5
Schistosoma mansoni	tyrosine kinase	0.001	0.1118	0.1118
Entamoeba histolytica	hypothetical protein	0.0011	0.1349	0.1744
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0046	1	1
Echinococcus granulosus	growth factor receptor bound protein 2	0.0009	0.0796	0.0796
Schistosoma mansoni	eukaryotic elongation factor 2 kinase (eef-2 kinase)	0.0039	0.819	0.819
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0046	1	1
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0046	1	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0009	0.0796	0.0796
Onchocerca volvulus		0.0006	0	0.5
Trypanosoma brucei	myosin heavy chain kinase A, putative	0.0039	0.819	0.5
Echinococcus multilocularis	tyrosine protein kinase Abl	0.001	0.1118	0.1118
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.856	0.856
Brugia malayi	MHCK/EF2 kinase domain family protein	0.0039	0.819	0.819
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.001	0.1118	0.1118
Loa Loa (eye worm)	SRC-1	0.0046	1	1
Onchocerca volvulus		0.0006	0	0.5
Onchocerca volvulus		0.0006	0	0.5
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0011	0.1349	0.1744
Entamoeba histolytica	hypothetical protein	0.0011	0.1349	0.1744
Onchocerca volvulus		0.0006	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0046	1	1
Entamoeba histolytica	protein kinase, putative	0.0016	0.2467	0.3189
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.856	0.856
Brugia malayi	Tyrosine-protein kinase abl-1	0.001	0.1118	0.1118
Schistosoma mansoni	tyrosine kinase	0.001	0.1118	0.1118
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0046	1	1
Echinococcus granulosus	NCK adaptor protein	0.0009	0.0796	0.0796
Echinococcus granulosus	eukaryotic elongation factor 2 kinase	0.0039	0.819	0.819
Loa Loa (eye worm)	TK protein kinase	0.0037	0.7735	0.7735
Entamoeba histolytica	hypothetical protein	0.0011	0.1349	0.1744

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 874865