TDR Targets

Basic information

Technical information

TDR Targets ID: 1420591
Name: 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3- ylbutanamide
MW: 324.334 | Formula: C17H16N4O3
H donors: 2 H acceptors: 4 LogP: 1.39 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCC(n1c(=O)[nH]c2c(c1=O)cccc2)C(=O)Nc1cccnc1
InChi: 1S/C17H16N4O3/c1-2-14(15(22)19-11-6-5-9-18-10-11)21-16(23)12-7-3-4-8-13(12)20-17(21)24/h3-10,14H,2H2,1H3,(H,19,22)(H,20,24)
InChiKey: NEDXKHCUTGHCSA-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-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-pyridyl)butanamide
2-(2,4-diketo-1H-quinazolin-3-yl)-N-(3-pyridyl)butyramide
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-yl-butanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470

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
Toxoplasma gondii	isocitrate dehydrogenase	0.0062	0.0875	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0909	0.0909
Schistosoma mansoni	hypothetical protein	0.0064	0.0909	0.4233
Onchocerca volvulus		0.0036	0.0443	0.0961
Schistosoma mansoni	Smad4	0.0019	0.0151	0.0705
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0182	0.287	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0443	0.4525
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0182	0.287	0.5
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0062	0.0875	1
Brugia malayi	Pre-SET motif family protein	0.0036	0.0443	0.0443
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0421	0.4299
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0182	0.287	0.5463
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0443	0.2062
Echinococcus granulosus	GPCR family 2	0.0064	0.0909	0.9292
Onchocerca volvulus		0.0182	0.287	0.6226
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0182	0.287	0.5463
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0443	0.4525
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0202	0.3215	0.3215
Brugia malayi	RNA binding protein	0.0068	0.0978	0.0978
Schistosoma mansoni	smad1 5 8 and	0.0042	0.0534	0.2487
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0443	0.0443
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0019	0.0151	0.1547
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.0978	0.0978
Brugia malayi	latrophilin 2 splice variant baaae	0.0138	0.2147	0.2147
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0443	0.2062
Loa Loa (eye worm)	Smad1	0.0042	0.0534	0.0534
Echinococcus multilocularis	isocitrate dehydrogenase	0.0062	0.0875	0.8946
Toxoplasma gondii	isocitrate dehydrogenase	0.0062	0.0875	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0042	0.0534	0.5459
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0064	0.0909	0.9292
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0062	0.0875	0.8946
Loa Loa (eye worm)	MH2 domain-containing protein	0.061	1	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0062	0.0875	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0064	0.0909	0.9292
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0202	0.3215	0.3215
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0193	0.3052	0.6623
Loa Loa (eye worm)	RNA binding protein	0.0068	0.0978	0.0978
Loa Loa (eye worm)	MH2 domain-containing protein	0.0019	0.0151	0.0151
Schistosoma mansoni	Smad4	0.0019	0.0151	0.0705
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0064	0.0909	0.0909
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0064	0.0909	0.0909
Loa Loa (eye worm)	transcription factor SMAD2	0.061	1	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0042	0.0534	0.5459
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.403	0.403
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0019	0.0151	0.1547
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0182	0.287	0.5463
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0062	0.0875	0.4076
Brugia malayi	TAR-binding protein	0.0068	0.0978	0.0978
Onchocerca volvulus		0.0286	0.4609	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0443	0.2062
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0062	0.0875	0.8946
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0019	0.0151	0.0328
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0042	0.0534	0.5459
Schistosoma mansoni	smad	0.0019	0.0151	0.0705
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.0978	1
Brugia malayi	MH1 domain containing protein	0.0023	0.0225	0.0225
Echinococcus granulosus	Smad4	0.0042	0.0534	0.5459
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0202	0.3215	0.3215
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0443	0.5058
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0978	0.4556
Loa Loa (eye worm)	MH1 domain-containing protein	0.0042	0.0534	0.0534
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0182	0.287	0.287
Schistosoma mansoni	Smad4	0.0042	0.0534	0.2487
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0062	0.0875	0.0875
Brugia malayi	mothers against decapentaplegic homolog 3	0.0019	0.0151	0.0151
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0182	0.287	0.5463
Brugia malayi	MH2 domain containing protein	0.0019	0.0151	0.0151
Schistosoma mansoni	hypothetical protein	0.0064	0.0909	0.4233
Brugia malayi	Latrophilin receptor protein 2	0.0064	0.0909	0.0909
Echinococcus granulosus	smad	0.0042	0.0534	0.5459
Loa Loa (eye worm)	MH1 domain-containing protein	0.0019	0.0151	0.0151
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0126	0.1936	1
Brugia malayi	MH2 domain containing protein	0.0042	0.0534	0.0534
Echinococcus multilocularis	GPCR, family 2	0.0064	0.0909	0.9292
Brugia malayi	MH2 domain containing protein	0.0042	0.0534	0.0534
Loa Loa (eye worm)	nuclear factor I	0.0023	0.0225	0.0225
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0042	0.0534	0.2487
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0202	0.3215	0.3215
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0182	0.287	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0064	0.0909	0.9292
Schistosoma mansoni	smad1 5 8 and	0.0042	0.0534	0.2487
Echinococcus multilocularis	Smad4	0.0042	0.0534	0.5459
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0978	0.4556
Brugia malayi	N-terminal motif family protein	0.0193	0.3052	0.3052
Schistosoma mansoni	hypothetical protein	0.0064	0.0909	0.4233
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0064	0.0909	0.9292
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0062	0.0875	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0062	0.0875	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0443	0.2062
Schistosoma mansoni	smad1 5 8 and	0.0042	0.0534	0.2487
Brugia malayi	MH1 domain containing protein	0.0042	0.0534	0.0534
Echinococcus granulosus	mothers against decapentaplegic 2	0.0019	0.0151	0.1547
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0062	0.0875	0.8946
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.0978	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0151	0.0151
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0062	0.0875	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0182	0.287	0.5463
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0443	0.4525
Echinococcus granulosus	tar DNA binding protein	0.0068	0.0978	1
Schistosoma mansoni	smad	0.0042	0.0534	0.2487
Schistosoma mansoni	hypothetical protein	0.0138	0.2147	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0978	0.4556
Brugia malayi	Smad1	0.0042	0.0534	0.0534
Loa Loa (eye worm)	MH2 domain-containing protein	0.0042	0.0534	0.0534
Brugia malayi	MH1 domain containing protein	0.0023	0.0225	0.0225
Brugia malayi	MH1 domain containing protein	0.0042	0.0534	0.0534
Echinococcus multilocularis	smad	0.0042	0.0534	0.5459
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0182	0.287	0.5
Brugia malayi	Pre-SET motif family protein	0.0251	0.403	0.403
Echinococcus granulosus	mothers against decapentaplegic 6	0.0019	0.0151	0.1547
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0062	0.0875	0.8946
Brugia malayi	isocitrate dehydrogenase	0.0062	0.0875	0.0875
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0978	0.4556
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2147	0.2147
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0182	0.287	0.287
Schistosoma mansoni	hypothetical protein	0.0064	0.0909	0.4233
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0062	0.0875	0.8946
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0978	0.4556
Brugia malayi	Isocitrate dehydrogenase	0.0062	0.0875	0.0875
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0062	0.0875	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0042	0.0534	0.5459
Loa Loa (eye worm)	hypothetical protein	0.0193	0.3052	0.3052
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0062	0.0875	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0182	0.287	0.5463
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.0978	0.0978
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.4609	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.5119 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1572335

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 1420591