TDR Targets

Basic information

Technical information

TDR Targets ID: 1439958
Name: 5,6-dimethyl-2-(2-phenylethylsulfanyl)-1H-pyr imidin-4-one
MW: 260.355 | Formula: C14H16N2OS
H donors: 1 H acceptors: 3 LogP: 3.75 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc(SCCc2ccccc2)nc(c1C)O
InChi: 1S/C14H16N2OS/c1-10-11(2)15-14(16-13(10)17)18-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChiKey: FQVMNFNSBCYWKN-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

5,6-dimethyl-2-(2-phenylethylthio)-1H-pyrimidin-4-one
ZINC05155283

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0013	0.0019
Brugia malayi	RNA binding protein	0.0076	0.242	0.3572
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1176	0.1736
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0192	0.6775	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.242	0.2221
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.1176	0.1736
Brugia malayi	TAR-binding protein	0.0076	0.242	0.3572
Schistosoma mansoni	single-minded	0.0048	0.1363	0.0333
Onchocerca volvulus		0.0043	0.1176	0.1721
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0192	0.6775	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.242	0.2221
Mycobacterium leprae	Probable lipase LipE	0.0043	0.1176	1
Mycobacterium ulcerans	beta-lactamase	0.0043	0.1176	1
Loa Loa (eye worm)	beta-lactamase	0.0043	0.1176	0.1736
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.242	0.2221
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1176	0.1736
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0013	0.0013	0.0019
Mycobacterium ulcerans	lipase LipD	0.0043	0.1176	1
Brugia malayi	eukaryotic initiation factor 4A	0.0192	0.6775	1
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0192	0.6775	1
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0013	0.0013	0.0019
Leishmania major	protein kinase, putative	0.0013	0.0013	0.0019
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.1176	0.1736
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0013	0.0013	0.0019
Plasmodium vivax	RNA helicase-1, putative	0.0192	0.6775	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0013	0.0013	0.0019
Brugia malayi	beta-lactamase family protein	0.0043	0.1176	0.1736
Leishmania major	hypothetical protein, conserved	0.0043	0.1176	0.1736
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0192	0.6775	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.242	0.2221
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0192	0.6775	0.6345
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.1176	1
Loa Loa (eye worm)	hypoxia-induced factor 1	0.015	0.5183	0.7651
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.242	0.3572
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.1176	0.1721
Brugia malayi	beta-lactamase family protein	0.0043	0.1176	0.1736
Echinococcus granulosus	tar DNA binding protein	0.0076	0.242	0.356
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.1176	1
Onchocerca volvulus		0.0043	0.1176	0.1721
Loa Loa (eye worm)	hypothetical protein	0.0162	0.5657	0.8351
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0013	0.0013	0.0019
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0192	0.6775	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0192	0.6775	1
Echinococcus granulosus	single minded 2	0.0036	0.0889	0.1295
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.242	0.2221
Onchocerca volvulus		0.0036	0.0889	0.1295
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0013	0.0013	0.0019
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.242	0.3572
Brugia malayi	hypoxia-induced factor 1	0.015	0.5183	0.7651
Mycobacterium ulcerans	hypothetical protein	0.0043	0.1176	1
Brugia malayi	bHLH-PAS transcription factor	0.0036	0.0889	0.1312
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0013	0.0013	0.0019
Brugia malayi	PAS domain containing protein	0.0048	0.1363	0.2011
Treponema pallidum	ATP-dependent RNA helicase	0.0192	0.6775	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1176	0.1736
Leishmania major	eukaryotic initiation factor 4a, putative	0.0192	0.6775	1
Brugia malayi	beta-lactamase	0.0043	0.1176	0.1736
Brugia malayi	hypothetical protein	0.0162	0.5657	0.8351
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6775	1
Onchocerca volvulus		0.0043	0.1176	0.1721
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.1176	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.1176	0.1721
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0192	0.6775	0.5
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0192	0.6775	1
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0192	0.6775	1
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.1176	0.1736
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0013	0.0013	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1176	0.1736
Leishmania major	protein kinase, putative	0.0013	0.0013	0.0019
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.242	0.356
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0192	0.6775	1
Echinococcus multilocularis	transfer RNA-Lys	0.0036	0.0889	0.1295
Schistosoma mansoni	aryl hydrocarbon receptor	0.0048	0.1363	0.0333
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0013	0.0013	0.0019
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0192	0.6775	0.5
Leishmania major	eukaryotic initiation factor 4a, putative	0.0192	0.6775	1
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0192	0.6775	1
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0192	0.6775	0.5
Mycobacterium ulcerans	putative regulatory protein	0.0036	0.0889	0.7555
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1176	0.1736
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1176	0.1736
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.1176	0.1721
Loa Loa (eye worm)	RNA binding protein	0.0076	0.242	0.3572
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1176	0.1721
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0192	0.6775	1
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0192	0.6775	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1176	0.1721
Trichomonas vaginalis	esterase, putative	0.0043	0.1176	0.1721
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.1176	0.1736
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1176	0.1721
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0192	0.6775	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.1176	0.1736
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0192	0.6775	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.242	0.3572
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.1176	0.1721

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6294 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1600759

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1439958