TDR Targets

Basic information

Technical information

TDR Targets ID: 1375575
Name: ethyl 4-(4-methoxyphenyl)-1,3,6-trimethyl-2-s ulfanylidene-4H-pyrimidine-5-carboxylate
MW: 334.433 | Formula: C17H22N2O3S
H donors: 0 H acceptors: 1 LogP: 2.32 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1=C(C)N(C(=S)N(C1c1ccc(cc1)OC)C)C
InChi: 1S/C17H22N2O3S/c1-6-22-16(20)14-11(2)18(3)17(23)19(4)15(14)12-7-9-13(21-5)10-8-12/h7-10,15H,6H2,1-5H3
InChiKey: XQJYJJIANUUHCL-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

ethyl 4-(4-methoxyphenyl)-1,3,6-trimethyl-2-thioxo-4H-pyrimidine-5-carboxylate
4-(4-methoxyphenyl)-1,3,6-trimethyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester
MLS001003264
SMR000344734
T5223248

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
Onchocerca volvulus		0.0238	0.1379	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0083	0.0236	0.0236
Onchocerca volvulus		0.0238	0.1379	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0238	0.1379	0.1379
Echinococcus granulosus	acetylcholinesterase	0.1409	1	1
Echinococcus multilocularis	neuroligin	0.0238	0.1379	0.1379
Brugia malayi	SRC-1	0.0083	0.0236	0.0236
Echinococcus multilocularis	carboxylesterase 5A	0.1409	1	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0238	0.1379	0.1379
Loa Loa (eye worm)	hypothetical protein	0.1409	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0083	0.0236	0.0236
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0238	0.1379	0.5
Schistosoma mansoni	tyrosine kinase	0.0083	0.0236	0.0236
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.007	0.0142	0.0142
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0083	0.0236	0.0236
Echinococcus granulosus	NCK adaptor protein	0.007	0.0142	0.0142
Brugia malayi	Carboxylesterase family protein	0.0238	0.1379	0.1379
Echinococcus multilocularis	acetylcholinesterase	0.1409	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0238	0.1379	0.1379
Echinococcus multilocularis	NCK adaptor protein	0.007	0.0142	0.0142
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.007	0.0142	0.0142
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0083	0.0236	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1379	0.1379
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1379	0.1379
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1379	0.1379
Schistosoma mansoni	tyrosine kinase	0.0083	0.0236	0.0236
Schistosoma mansoni	nck2/grb4	0.007	0.0142	0.0142
Echinococcus granulosus	BC026374 protein S09 family	0.0238	0.1379	0.1379
Onchocerca volvulus		0.0238	0.1379	1
Brugia malayi	Carboxylesterase family protein	0.1409	1	1
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1379	0.1379
Echinococcus granulosus	acetylcholinesterase	0.1409	1	1
Brugia malayi	hypothetical protein	0.0238	0.1379	0.1379
Onchocerca volvulus		0.0238	0.1379	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0238	0.1379	0.5
Echinococcus granulosus	c src tyrosine kinase	0.0083	0.0236	0.0236
Brugia malayi	Tyrosine-protein kinase abl-1	0.0083	0.0236	0.0236
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0083	0.0236	0.0236
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0083	0.0236	0.0236
Brugia malayi	Carboxylesterase family protein	0.0238	0.1379	0.1379
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0083	0.0236	0.0236
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0238	0.1379	0.1379
Echinococcus multilocularis	para nitrobenzyl esterase	0.0238	0.1379	0.1379
Brugia malayi	Carboxylesterase family protein	0.0238	0.1379	0.1379
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1379	0.1379
Brugia malayi	Variant SH3 domain containing protein	0.007	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1379	0.1379
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0238	0.1379	0.5
Schistosoma mansoni	growth factor receptor-bound protein	0.007	0.0142	0.0142
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0083	0.0236	0.0236
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0083	0.0236	0.0236
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0238	0.1379	0.1379
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0083	0.0236	0.0236
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0083	0.0236	0.0236
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0083	0.0236	0.0236
Loa Loa (eye worm)	carboxylesterase	0.1409	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1409	1	1
Loa Loa (eye worm)	SRC-1	0.0083	0.0236	0.0236
Schistosoma mansoni	acetylcholinesterase	0.0238	0.1379	0.1379
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0083	0.0236	0.0236
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0083	0.0236	0.0236
Echinococcus multilocularis	growth factor receptor bound protein 2	0.007	0.0142	0.0142
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0051	0	0.5
Brugia malayi	Variant SH3 domain containing protein	0.007	0.0142	0.0142
Schistosoma mansoni	tyrosine kinase	0.0083	0.0236	0.0236
Brugia malayi	Carboxylesterase family protein	0.0238	0.1379	0.1379
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0083	0.0236	0.0236
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0238	0.1379	0.1379
Schistosoma mansoni	adapter molecule crk	0.007	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1379	0.1379
Schistosoma mansoni	growth factor receptor-bound protein	0.007	0.0142	0.0142
Echinococcus granulosus	carboxylesterase 5A	0.1409	1	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0238	0.1379	0.1379
Loa Loa (eye worm)	hypothetical protein	0.1409	1	1
Onchocerca volvulus		0.0238	0.1379	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0142	0.0142
Echinococcus multilocularis	acetylcholinesterase	0.1409	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0238	0.1379	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0083	0.0236	0.0236
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0083	0.0236	0.0236
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0083	0.0236	0.0236
Mycobacterium ulcerans	carboxylesterase, LipT	0.0238	0.1379	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0238	0.1379	0.1379
Schistosoma mansoni	tyrosine kinase	0.0083	0.0236	0.0236
Trichomonas vaginalis	spcc417.12 protein, putative	0.0238	0.1379	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.007	0.0142	0.0142
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0083	0.0236	0.0236
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0083	0.0236	0.0236
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0238	0.1379	0.1379
Schistosoma mansoni	gliotactin	0.0238	0.1379	0.1379
Loa Loa (eye worm)	carboxylesterase	0.0238	0.1379	0.1379
Brugia malayi	Sex muscle abnormal protein 5	0.007	0.0142	0.0142
Echinococcus granulosus	growth factor receptor bound protein 2	0.007	0.0142	0.0142
Loa Loa (eye worm)	acetylcholinesterase 1	0.1409	1	1
Echinococcus multilocularis	c src tyrosine kinase	0.0083	0.0236	0.0236
Echinococcus granulosus	neuroligin	0.0238	0.1379	0.1379
Loa Loa (eye worm)	carboxylesterase	0.0238	0.1379	0.1379
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0083	0.0236	0.0236

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

ChEMBL: CHEMBL1503201

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1375575