TDR Targets

Basic information

Technical information

TDR Targets ID: 1384960
Name: N-ethyl-2-[(4-methyl-6-oxo-3H-pyrimidin-2-yl) sulfanyl]-N-(phenylmethyl)acetamide
MW: 317.406 | Formula: C16H19N3O2S
H donors: 1 H acceptors: 4 LogP: 2.81 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)CSc1nc(C)cc(n1)O)Cc1ccccc1
InChi: 1S/C16H19N3O2S/c1-3-19(10-13-7-5-4-6-8-13)15(21)11-22-16-17-12(2)9-14(20)18-16/h4-9H,3,10-11H2,1-2H3,(H,17,18,20)
InChiKey: PAIXOJHCZSGIOE-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

N-ethyl-2-[(4-methyl-6-oxo-3H-pyrimidin-2-yl)thio]-N-(phenylmethyl)acetamide
N-(benzyl)-N-ethyl-2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetamide
N-ethyl-2-[(4-methyl-6-oxo-3H-pyrimidin-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide
T0510-5145
MLS000776180
SMR000371183

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	TAR-binding protein	0.0068	0.3624	0.3624
Brugia malayi	RNA binding protein	0.0068	0.3624	0.3624
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.2171	0.2129
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.1606	0.4254
Loa Loa (eye worm)	hypothetical protein	0.0041	0.178	0.178
Loa Loa (eye worm)	hypothetical protein	0.0084	0.4725	0.4725
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.3705	0.3705
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0249	0.0249
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0.0053	0.5
Plasmodium falciparum	thioredoxin reductase	0.0047	0.2171	0.4533
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.2755	0.2717
Plasmodium vivax	glutathione reductase, putative	0.0047	0.2171	0.4533
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0926	0.187
Schistosoma mansoni	hypothetical protein	0.0019	0.0249	0.0213
Leishmania major	trypanothione reductase	0.0047	0.2171	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.1606	0.4254
Echinococcus multilocularis	lamin dm0	0.0029	0.0928	0.088
Loa Loa (eye worm)	hypothetical protein	0.003	0.1028	0.1028
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.3624	0.3624
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.181	0.4811
Brugia malayi	MH2 domain containing protein	0.0128	0.7777	0.7777
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0825	0.2114
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0084	0.4725	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0119	0.7148	1
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.3705	1
Echinococcus multilocularis	muscleblind protein 1	0.016	1	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.2171	0.2129
Schistosoma mansoni	hypothetical protein	0.0041	0.178	0.1875
Brugia malayi	Heterochromatin protein 1	0.0069	0.3705	0.3705
Echinococcus granulosus	peptidase Clp S14 family	0.0055	0.2728	0.269
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1606	0.1606
Toxoplasma gondii	thioredoxin reductase	0.0047	0.2171	0.4533
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.2755	0.2717
Schistosoma mansoni	chromobox protein	0.0069	0.3705	0.3964
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0055	0.2728	0.3771
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2755	0.2933
Mycobacterium tuberculosis	Probable oxidoreductase	0.0119	0.7148	1
Echinococcus multilocularis	chromobox protein 1	0.0069	0.3705	0.3672
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.3099	0.3099
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.2755	0.2717
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0107	0.6323	0.8837
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0249	0.0197
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0084	0.4725	0.4697
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0928	0.0928
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.2171	0.2171
Brugia malayi	intermediate filament protein	0.0029	0.0928	0.0928
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.3624	0.3876
Schistosoma mansoni	lamin	0.0029	0.0928	0.095
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.3624	0.3876
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.4725	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.4725	1
Brugia malayi	Thioredoxin reductase	0.0047	0.2171	0.2171
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.2171	0.2985
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0107	0.6323	0.8837
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.1606	0.7695
Mycobacterium tuberculosis	Probable dehydrogenase	0.0107	0.6323	0.8837
Schistosoma mansoni	hypothetical protein	0.0019	0.0249	0.0213
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.3624	0.3876
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2755	0.2933
Loa Loa (eye worm)	glutathione reductase	0.0047	0.2171	0.2171
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.3624	0.3624
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.3624	0.3876
Echinococcus granulosus	muscleblind protein	0.016	1	1
Brugia malayi	Probable ClpP-like protease	0.0084	0.4725	0.4725
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.7777	0.7777
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.3624	0.3876
Mycobacterium tuberculosis	Probable reductase	0.0107	0.6323	0.8837
Echinococcus granulosus	chromobox protein 1	0.0069	0.3705	0.3672
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0891	0.0891
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0926	0.187
Loa Loa (eye worm)	hypothetical protein	0.016	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0249	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0928	0.0928
Echinococcus granulosus	tar DNA binding protein	0.0068	0.3624	0.359
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0928	0.095
Echinococcus granulosus	intermediate filament protein	0.0029	0.0928	0.088
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0249	0.0249
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.4725	1
Echinococcus granulosus	lamin dm0	0.0029	0.0928	0.088
Echinococcus granulosus	lamin	0.0029	0.0928	0.088
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0084	0.4725	1
Echinococcus granulosus	GPCR family 2	0.0019	0.0249	0.0197
Schistosoma mansoni	chromobox protein	0.0069	0.3705	0.3964
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0055	0.2728	0.2896
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.3099	0.3099
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0055	0.2728	0.269
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0249	0.0197
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0249	0.0197
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0249	0.0197
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0029	0.0926	0.187
Schistosoma mansoni	lamin	0.0029	0.0928	0.095
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0084	0.4725	0.6106
Echinococcus multilocularis	musashi	0.0029	0.0928	0.088
Brugia malayi	chromobox protein homolog 3	0.0039	0.1606	0.1606
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.4725	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0055	0.2728	0.3771
Plasmodium falciparum	glutathione reductase	0.0047	0.2171	0.4533
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.2755	0.2755
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.2755	0.2755
Schistosoma mansoni	hypothetical protein	0.0019	0.0249	0.0213
Loa Loa (eye worm)	hypothetical protein	0.016	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.181	0.4811
Onchocerca volvulus		0.003	0.1028	0.1135
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.3624	0.3624
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0107	0.6323	0.8837
Echinococcus multilocularis	chromobox protein 1	0.0069	0.3705	0.3672
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.4725	1
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0249	0.0197
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0249	0.0249
Echinococcus multilocularis	lamin	0.0029	0.0928	0.088
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.3099	0.3099
Schistosoma mansoni	hypothetical protein	0.0019	0.0249	0.0213
Loa Loa (eye worm)	hypothetical protein	0.006	0.3099	0.3099
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.2171	1
Trypanosoma brucei	trypanothione reductase	0.0047	0.2171	1
Brugia malayi	glutathione reductase	0.0047	0.2171	0.2171
Echinococcus granulosus	chromobox protein 1	0.0069	0.3705	0.3672
Echinococcus multilocularis	muscleblind protein	0.016	1	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0107	0.6323	0.8837
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.3705	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0825	0.2114
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0119	0.7148	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.4725	1
Toxoplasma gondii	hypothetical protein	0.0029	0.0926	0.187
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0084	0.4725	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.178	0.178
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.181	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0928	0.0928
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.7777	0.7777
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.2171	0.4533
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.2755	0.2717
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0053	0.0053
Loa Loa (eye worm)	RNA binding protein	0.0068	0.3624	0.3624
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.3624	0.359
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0107	0.6323	0.8674
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0928	0.0928
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2755	0.2933
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0084	0.4725	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0119	0.7148	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0084	0.4725	0.5071
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0084	0.4725	0.4697

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.8913 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1536239

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1384960