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

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