TDR Targets

Basic information

Technical information

TDR Targets ID: 1558960
Name: N-(4-methylphenyl)-2-[6-oxo-3-phenyl-5-(pheny lmethyl)-1,2,4-triazin-1-yl]acetamide
MW: 410.468 | Formula: C25H22N4O2
H donors: 1 H acceptors: 2 LogP: 4.03 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)NC(=O)Cn1nc(nc(c1=O)Cc1ccccc1)c1ccccc1
InChi: 1S/C25H22N4O2/c1-18-12-14-21(15-13-18)26-23(30)17-29-25(31)22(16-19-8-4-2-5-9-19)27-24(28-29)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,30)
InChiKey: UNZYQHUJCTXOBQ-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

2-[5-(benzyl)-6-keto-3-phenyl-1,2,4-triazin-1-yl]-N-(4-methylphenyl)acetamide
N-(4-methylphenyl)-2-[6-oxo-3-phenyl-5-(phenylmethyl)-1,2,4-triazin-1-yl]ethanamide
G879-0006
NCGC00137693-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references

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	spcc417.12 protein, putative	0.0102	0.1618	0.495
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0201	0.3269	1
Echinococcus granulosus	chromobox protein 1	0.0031	0.044	0.044
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1618	0.1618
Schistosoma mansoni	vav2	0.0006	0.002	0.002
Schistosoma mansoni	glycogen phosphorylase	0.0201	0.3269	0.3269
Trichomonas vaginalis	chromobox protein, putative	0.0019	0.0231	0.0707
Echinococcus multilocularis	carboxylesterase 5A	0.0604	1	1
Brugia malayi	Carboxylesterase family protein	0.0604	1	1
Schistosoma mansoni	hypothetical protein	0.0077	0.1193	0.1193
Onchocerca volvulus		0.0045	0.0668	0.2041
Echinococcus granulosus	acetylcholinesterase	0.0604	1	1
Chlamydia trachomatis	glycogen phosphorylase	0.0201	0.3269	0.5
Loa Loa (eye worm)	carboxylesterase	0.0604	1	1
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0201	0.3269	0.3269
Plasmodium vivax	heterochromatin protein 1, putative	0.0005	0	0.5
Loa Loa (eye worm)	glycogen phosphorylase	0.0201	0.3269	0.3269
Echinococcus granulosus	para nitrobenzyl esterase	0.0102	0.1618	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0046	0.069	0.069
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0209	0.0638
Brugia malayi	Carboxylesterase family protein	0.0102	0.1618	0.1618
Brugia malayi	C1-like domain containing protein	0.0045	0.067	0.067
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0668	0.0668
Plasmodium falciparum	heterochromatin protein 1	0.0005	0	0.5
Echinococcus granulosus	Glycosyl transferase family 35	0.0201	0.3269	0.3269
Loa Loa (eye worm)	hypothetical protein	0.004	0.0584	0.0584
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0102	0.1618	1
Schistosoma mansoni	gliotactin	0.0102	0.1618	0.1618
Plasmodium vivax	hypothetical protein, conserved	0.0005	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1618	0.1618
Brugia malayi	Carboxylesterase family protein	0.0102	0.1618	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1618	0.1618
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.004	0.0587	0.0587
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0102	0.1618	0.1618
Echinococcus granulosus	geminin	0.0077	0.1193	0.1193
Trichomonas vaginalis	chromobox protein, putative	0.0031	0.044	0.1345
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1618	0.1618
Trichomonas vaginalis	chromobox protein, putative	0.0031	0.044	0.1345
Entamoeba histolytica	glycogenphosphorylase, putative	0.0087	0.1365	0.4174
Schistosoma mansoni	chromobox protein	0.0031	0.044	0.044
Loa Loa (eye worm)	carboxylesterase	0.0102	0.1618	0.1618
Brugia malayi	Heterochromatin protein 1	0.0031	0.044	0.044
Brugia malayi	MH2 domain containing protein	0.0054	0.0815	0.0815
Plasmodium falciparum	chromodomain-helicase-DNA-binding protein 1 homolog, putative	0.0005	0	0.5
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0005	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1618	0.1618
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0005	0	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0102	0.1618	0.1618
Echinococcus multilocularis	glycogen phosphorylase	0.0201	0.3269	0.3269
Brugia malayi	Carboxylesterase family protein	0.0102	0.1618	0.1618
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0123	0.0375
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0102	0.1618	0.1618
Toxoplasma gondii	chromodomain helicase DNA binding protein CHD1/SWI2/SNF2	0.0005	0	0.5
Onchocerca volvulus		0.0102	0.1618	0.495
Echinococcus multilocularis	para nitrobenzyl esterase	0.0102	0.1618	0.1618
Onchocerca volvulus		0.004	0.0584	0.1787
Echinococcus granulosus	glycogen phosphorylase	0.0201	0.3269	0.3269
Echinococcus granulosus	BC026374 protein S09 family	0.0102	0.1618	0.1618
Echinococcus granulosus	neuroligin	0.0102	0.1618	0.1618
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0209	0.0638
Entamoeba histolytica	glycogen phosphorylase, putative	0.0087	0.1365	0.4174
Echinococcus multilocularis	chromobox protein 1	0.0031	0.044	0.044
Brugia malayi	Pleckstrin Homology Domain	0.0006	0.002	0.002
Onchocerca volvulus		0.0102	0.1618	0.495
Entamoeba histolytica	glycogen phosphorylase, putative	0.0201	0.3269	1
Onchocerca volvulus		0.0102	0.1618	0.495
Loa Loa (eye worm)	hypothetical protein	0.0604	1	1
Echinococcus multilocularis	chromobox protein 1	0.0031	0.044	0.044
Echinococcus granulosus	carboxylesterase 5A	0.0604	1	1
Schistosoma mansoni	chromobox protein	0.0031	0.044	0.044
Loa Loa (eye worm)	acetylcholinesterase 1	0.0604	1	1
Brugia malayi	Carboxylesterase family protein	0.0102	0.1618	0.1618
Echinococcus multilocularis	acetylcholinesterase	0.0604	1	1
Echinococcus granulosus	myotubularin protein 13	0.0006	0.002	0.002
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0102	0.1618	0.1618
Echinococcus multilocularis	glycogen phosphorylase	0.0201	0.3269	0.3269
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1618	0.1618
Brugia malayi	hypothetical protein	0.0102	0.1618	0.1618
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0604	1	1
Schistosoma mansoni	hypothetical protein	0.0077	0.1193	0.1193
Trichomonas vaginalis	chromobox protein, putative	0.0019	0.0231	0.0707
Entamoeba histolytica	glycogen phosphorylase, putative	0.0201	0.3269	1
Echinococcus granulosus	chromobox protein 1	0.0031	0.044	0.044
Loa Loa (eye worm)	transcription factor SMAD2	0.0054	0.0815	0.0815
Schistosoma mansoni	glycogen phosphorylase	0.0087	0.1365	0.1365
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0102	0.1618	1
Onchocerca volvulus		0.0102	0.1618	0.495
Entamoeba histolytica	glycogen phosphorylase, putative	0.0087	0.1365	0.4174
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0145	0.0145
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0018	0.0209	0.0638
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0102	0.1618	0.1618
Giardia lamblia	Glycogen phosphorylase	0.0201	0.3269	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0102	0.1618	0.495
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0209	0.0209
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0201	0.3269	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.002	0.002
Loa Loa (eye worm)	MH2 domain-containing protein	0.0054	0.0815	0.0815
Echinococcus multilocularis	geminin	0.0077	0.1193	0.1193
Echinococcus multilocularis	neuroligin	0.0102	0.1618	0.1618
Brugia malayi	chromobox protein homolog 3	0.0018	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.004	0.0584	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0604	1	1
Onchocerca volvulus		0.0046	0.069	0.211
Echinococcus granulosus	glycogen phosphorylase	0.0201	0.3269	0.3269
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0102	0.1618	0.1618
Echinococcus multilocularis	myotubularin protein 13	0.0006	0.002	0.002
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0045	0.067	0.067
Schistosoma mansoni	protein kinase C mu	0.0045	0.067	0.067
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0102	0.1618	0.1618
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0102	0.1618	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0031	0.044	0.044
Schistosoma mansoni	acetylcholinesterase	0.0102	0.1618	0.1618
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0019	0.0231	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1618	0.1618
Mycobacterium ulcerans	carboxylesterase, LipT	0.0102	0.1618	1
Echinococcus granulosus	acetylcholinesterase	0.0604	1	1
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0201	0.3269	1
Schistosoma mansoni	glycogen phosphorylase	0.0201	0.3269	0.3269
Plasmodium vivax	hypothetical protein, conserved	0.0005	0	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0102	0.1618	0.1618
Echinococcus multilocularis	acetylcholinesterase	0.0604	1	1
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0045	0.067	0.067
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0005	0	0.5
Brugia malayi	carbohydrate phosphorylase	0.0201	0.3269	0.3269
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.0123	0.0375
Loa Loa (eye worm)	carboxylesterase	0.0102	0.1618	0.1618
Onchocerca volvulus		0.0102	0.1618	0.495
Onchocerca volvulus		0.0014	0.0145	0.0444

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3162 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1733401

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 1558960