TDR Targets

Basic information

Technical information

TDR Targets ID: 683528
Name: N-(4-acetylphenyl)-2-[[5-oxo-6-(phenylmethyl) -2H-1,2,4-triazin-3-yl]sulfanyl]acetamide
MW: 394.447 | Formula: C20H18N4O3S
H donors: 2 H acceptors: 6 LogP: 2.56 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc(c(n1)O)Cc1ccccc1
InChi: 1S/C20H18N4O3S/c1-13(25)15-7-9-16(10-8-15)21-18(26)12-28-20-22-19(27)17(23-24-20)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,26)(H,22,24,27)
InChiKey: DNZYCGXVOPCDIS-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-(4-acetylphenyl)-2-[[5-oxo-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]thio]acetamide
N-(4-acetylphenyl)-2-[[6-(benzyl)-5-keto-2H-1,2,4-triazin-3-yl]thio]acetamide
N-(4-ethanoylphenyl)-2-[[5-oxo-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]ethanamide
ZINC04317362

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
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.0566	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0049	0.0249	1
Onchocerca volvulus		0.0033	0.0069	0.0789
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0128	0.0094
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0081	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0081	0.0097
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0286	0.0285
Schistosoma mansoni	DNA polymerase eta	0.0049	0.0249	0.024
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0059	0.037	0.0386
Loa Loa (eye worm)	mbt repeat family protein	0.0052	0.0286	0.0343
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0204	0.2072	0.2032
Schistosoma mansoni	chromobox protein	0.0076	0.0566	0.0622
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0081	0.0037
Brugia malayi	jmjC domain containing protein	0.0038	0.0128	0.1071
Entamoeba histolytica	hypothetical protein	0.0039	0.0137	0.5
Schistosoma mansoni	hypothetical protein	0.0034	0.0081	0.0037
Schistosoma mansoni	calcium-activated potassium channel	0.0739	0.8346	1
Schistosoma mansoni	chromobox protein	0.0076	0.0566	0.0622
Echinococcus granulosus	geminin	0.0184	0.1836	0.2152
Brugia malayi	mbt repeat family protein	0.0052	0.0286	0.2388
Echinococcus multilocularis	chromobox protein 1	0.0076	0.0566	0.0518
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0059	0.037	0.3089
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0081	0.0673
Echinococcus granulosus	small conductance calcium activated potassium	0.0739	0.8346	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0176	0.5338
Entamoeba histolytica	hypothetical protein	0.0039	0.0137	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0128	0.0154
Echinococcus multilocularis	chromobox protein 1	0.0076	0.0566	0.0518
Echinococcus granulosus	polycomb protein SCMH1	0.0052	0.0286	0.0285
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0176	0.2714
Echinococcus multilocularis	caspase 2	0.0034	0.0072	0.0022
Brugia malayi	hypothetical protein	0.0034	0.0072	0.0604
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.005	0.6309
Trypanosoma cruzi	DNA polymerase eta, putative	0.0034	0.008	0.3198
Giardia lamblia	PHD finger protein 15	0.0032	0.005	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0081	0.0097
Schistosoma mansoni	hypothetical protein	0.0184	0.1836	0.2152
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0059	0.037	0.0322
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0034	0.0073	0.0022
Loa Loa (eye worm)	transcription factor SMAD2	0.013	0.1199	0.1436
Schistosoma mansoni	hypothetical protein	0.0034	0.0073	0.0027
Schistosoma mansoni	caspase-7 (C14 family)	0.0034	0.0072	0.0027
Echinococcus granulosus	SAM and MBT domain containing protein	0.0052	0.0286	0.0285
Onchocerca volvulus		0.0052	0.0286	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0286	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0072	0.0087
Schistosoma mansoni	hypothetical protein	0.0184	0.1836	0.2152
Entamoeba histolytica	hypothetical protein	0.0039	0.0137	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0137	0.0105
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0059	0.037	0.0322
Brugia malayi	hypothetical protein	0.0039	0.0137	0.1144
Schistosoma mansoni	hypothetical protein	0.0315	0.337	0.4001
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0128	0.0094
Schistosoma mansoni	hypothetical protein	0.0034	0.0081	0.0037
Echinococcus granulosus	caspase 2	0.0034	0.0072	0.0027
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0214	0.6937
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0081	0.0031
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0214	0.3419
Echinococcus granulosus	chromobox protein 1	0.0076	0.0566	0.0622
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0108	0.0948	0.1136
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0069	0.0083
Schistosoma mansoni	hypothetical protein	0.0039	0.0137	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0739	0.8346	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0315	0.0378
Echinococcus granulosus	GPCR family 2	0.0034	0.0081	0.0037
Echinococcus granulosus	chromobox protein 1	0.0076	0.0566	0.0622
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0052	0.0286	0.0237
Echinococcus multilocularis	geminin	0.0184	0.1836	0.1795
Echinococcus granulosus	jumonji domain containing protein	0.0044	0.0196	0.0175
Brugia malayi	chromobox protein homolog 3	0.0042	0.0176	0.147
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0249	0.0298
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0137	0.0105
Brugia malayi	PHD-finger family protein	0.0032	0.005	0.0419
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.0547	0.456
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0081	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0948	0.1136
Schistosoma mansoni	hypothetical protein	0.0074	0.0547	0.0598
Brugia malayi	ImpB/MucB/SamB family protein	0.0049	0.0249	0.2078
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0034	0.008	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0176	0.0211
Entamoeba histolytica	hypothetical protein	0.0039	0.0137	0.5
Echinococcus multilocularis	polycomb protein SCMH1	0.0052	0.0286	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0262	0.2756	0.3302
Loa Loa (eye worm)	MH2 domain-containing protein	0.013	0.1199	0.1436
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0052	0.0286	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0128	0.0094
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.0566	1
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0081	0.0673
Echinococcus granulosus	histone acetyltransferase MYST2	0.0059	0.037	0.0386
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0286	0.0285
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0108	0.0948	0.791
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0128	0.0078
Trypanosoma brucei	DNA polymerase eta, putative	0.0049	0.0249	1
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0214	0.3419
Brugia malayi	jmjC domain containing protein	0.0104	0.0894	0.7462
Schistosoma mansoni	jumonji domain containing protein	0.0082	0.0645	0.0717
Loa Loa (eye worm)	jmjC domain-containing protein	0.0065	0.0445	0.0534
Echinococcus multilocularis	dna polymerase eta	0.0049	0.0249	0.02
Echinococcus granulosus	dna polymerase eta	0.0049	0.0249	0.024
Loa Loa (eye worm)	hypothetical protein	0.0172	0.17	0.2037
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0072	0.0087
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0176	0.2714
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0547	0.0655
Brugia malayi	Heterochromatin protein 1	0.0076	0.0566	0.4721
Loa Loa (eye worm)	PHD-finger family protein	0.0032	0.005	0.006
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0137	0.0087
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0059	0.037	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0277	0.2932	0.3513
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0104	0.0894	0.1018
Onchocerca volvulus	Cell death protein 3 homolog	0.0034	0.0072	0.0941
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0108	0.0948	0.791
Schistosoma mansoni	hypothetical protein	0.0034	0.0081	0.0037
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0081	0.0037
Leishmania major	DNA polymerase eta, putative	0.0049	0.0249	1
Brugia malayi	MH2 domain containing protein	0.013	0.1199	1
Brugia malayi	Cell death protein 3 precursor	0.0034	0.0072	0.0604
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0052	0.0286	0.0285
Plasmodium falciparum	phd finger protein, putative	0.0032	0.005	1
Leishmania major	DNA polymerase eta, putative	0.0034	0.008	0.3198
Brugia malayi	mbt repeat family protein	0.0052	0.0286	0.2388
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.005	0.6309
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0104	0.0894	0.0849
Onchocerca volvulus		0.0034	0.0072	0.0941
Schistosoma mansoni	hypothetical protein	0.0034	0.0081	0.0037
Loa Loa (eye worm)	heterochromatin protein 1	0.0076	0.0566	0.0678
Schistosoma mansoni	hypothetical protein	0.0739	0.8346	1
Schistosoma mansoni	calcium-activated potassium channel	0.045	0.4953	0.591
Loa Loa (eye worm)	MBCTL1	0.0059	0.037	0.0444
Brugia malayi	Bromodomain containing protein	0.0032	0.005	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0032	0.005	0.006
Echinococcus granulosus	apoptotic protease activating factor 1	0.0034	0.0073	0.0027
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0204	0.2072	0.2437
Echinococcus multilocularis	jumonji domain containing protein	0.0044	0.0196	0.0146
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.005	1
Echinococcus multilocularis	small conductance calcium activated potassium	0.0739	0.8346	0.8338
Loa Loa (eye worm)	hypothetical protein	0.0059	0.037	0.0444

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 683528