TDR Targets

Basic information

Technical information

TDR Targets ID: 55964
Name: 1-ethyl-5-methyl-6-phenylsulfanylpyrimidine-2 ,4-dione
MW: 262.327 | Formula: C13H14N2O2S
H donors: 1 H acceptors: 2 LogP: 2.23 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c(=O)[nH]c(=O)c(c1Sc1ccccc1)C
InChi: 1S/C13H14N2O2S/c1-3-15-12(9(2)11(16)14-13(15)17)18-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,16,17)
InChiKey: IHVOGKKVBQKZSA-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

1-ethyl-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione
1-ethyl-5-methyl-6-(phenylthio)pyrimidine-2,4-dione
1-ethyl-5-methyl-6-(phenylthio)pyrimidine-2,4-quinone
136160-20-8
AIDS-004845
AIDS004845
1-Et6PhS T
1-Ethyl-6-(phenylthio)thymine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Human immunodeficiency virus 1	Human immunodeficiency virus type 1 reverse transcriptase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608
Trypanosoma brucei	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608
Plasmodium yoelii	integrase-related	Get druggable targets OG5_139608	All targets in OG5_139608
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_139608	All targets in OG5_139608

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
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0037	0	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0037	0	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0037	0	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0077	0.2361	0.2361
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0037	0	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0037	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2361	0.2361
Mycobacterium tuberculosis	Possible oxidoreductase	0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Trichomonas vaginalis	ubiquitin-activating enzyme E1, putative	0.0151	0.662	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0037	0	0.5
Echinococcus granulosus	sodium and chloride dependent glycine	0.0077	0.2361	0.2361
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Onchocerca volvulus	Sepiapterin reductase homolog	0.0037	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0077	0.2361	0.2361
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Schistosoma mansoni	ubiquitin-activating enzyme E1C	0.0209	1	1
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0037	0	0.5
Trypanosoma cruzi	ubiquitin activating enzyme, putative	0.0065	0.1628	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0037	0	0.5
Mycobacterium ulcerans	oxidoreductase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0037	0	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0037	0	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Giardia lamblia	Short-chain dehydrogenase, putative	0.0037	0	0.5
Mycobacterium leprae	Probable oxidoreductase	0.0037	0	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0077	0.2361	0.2361
Onchocerca volvulus		0.0037	0	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0037	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0077	0.2361	0.2361
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Entamoeba histolytica	ubiquitin-activating enzyme, putative	0.0209	1	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0037	0	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0037	0	0.5
Echinococcus multilocularis	NEDD8 activating enzyme E1 catalytic subunit	0.0209	1	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Trypanosoma brucei	RNA helicase, putative	0.01	0.368	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0077	0.2361	0.2361
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Trypanosoma cruzi	ubiquitin activating enzyme, putative	0.0065	0.1628	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Trypanosoma brucei	NEDD8 activating enzyme subunit, putative	0.0065	0.1628	0.4425
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0037	0	0.5
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0037	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0037	0	0.5
Leishmania major	ubiquitin activating enzyme, putative	0.0065	0.1628	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0037	0	0.5
Toxoplasma gondii	NEDD8-activating enzyme E1 catalytic subunit	0.0209	1	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0037	0	0.5
Mycobacterium ulcerans	dehydrogenase	0.0037	0	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0077	0.2361	0.2361
Giardia lamblia	Reductase, putative	0.0037	0	0.5
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0037	0	0.5
Mycobacterium ulcerans	oxidoreductase	0.0037	0	0.5
Loa Loa (eye worm)	ectopic membrane ruffles in embryo protein 1	0.0209	1	1
Echinococcus granulosus	NEDD8 activating enzyme E1 catalytic subunit	0.0209	1	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Giardia lamblia	Hypothetical protein	0.0037	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Trichomonas vaginalis	molybdopterin biosynthesis moeb protein, putative	0.0065	0.1628	0.246
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0037	0	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0037	0	0.5
Onchocerca volvulus		0.0037	0	0.5
Schistosoma mansoni	hypothetical protein	0.01	0.368	0.368
Echinococcus granulosus	sodium and chloride dependent glycine	0.0077	0.2361	0.2361
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0037	0	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0037	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0037	0	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0037	0	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0	0.5
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0037	0	0.5
Plasmodium falciparum	NEDD8-activating enzyme E1 catalytic subunit, putative	0.0065	0.1628	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0037	0	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0	0.5
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0037	0	0.5
Plasmodium vivax	ubiquitin-activating enzyme E1C, putative	0.0065	0.1628	1
Onchocerca volvulus		0.0037	0	0.5
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0037	0	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0037	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2361	0.2361

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 2.2 uM	Inhibitory activity against human immunodeficiency virus type 1 reverse transcriptase (HIV-1 RT)	ChEMBL.	12086483
Activity (binding)	= 2.2 uM	Inhibitory activity against human immunodeficiency virus type 1 reverse transcriptase (HIV-1 RT)	ChEMBL.	12086483
CC50 (functional)	= 94 uM	Concentration required to reduce viability of mock-infected MT-4 cells	ChEMBL.	1469700
EC50 (binding)	= 2.2 uM	Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade	ChEMBL.	11170624
EC50 (functional)	= 2.2 uM	Effective concentration required for 50% protection of MT-4 cells against the cytopathic effect of HIV-1	ChEMBL.	1469700
EC50 (binding)	= 2.2 uM	Inhibitory concentration against HIV-1 reverse transcriptase	ChEMBL.	9435895
EC50 (binding)	= 2.2 uM	Inhibition of HIV-1 reverse transcriptase at 37 degree centigrade	ChEMBL.	11170624
EC50 (binding)	= 2.2 uM	Inhibitory concentration against HIV-1 reverse transcriptase	ChEMBL.	9435895
Selectivity index (functional)	= 43	Ratio of the EC50 against HIV-1 infected MT-4 cells and CC50 against mock infected MT-4 cells.	ChEMBL.	1469700

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

ChEMBL: CHEMBL38768
PubChem: 454567

Bibliographic References

4 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 55964