TDR Targets

Basic information

Technical information

TDR Targets ID: 1359803
Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methy l-1H-pyridin-2-one
MW: 288.342 | Formula: C16H20N2O3
H donors: 2 H acceptors: 2 LogP: 3.11 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1OC)CCNc1cc(C)nc(c1)O
InChi: 1S/C16H20N2O3/c1-11-8-13(10-16(19)18-11)17-7-6-12-4-5-14(20-2)15(9-12)21-3/h4-5,8-10H,6-7H2,1-3H3,(H2,17,18,19)
InChiKey: SFZGIEQYHCWVLL-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

4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-2-pyridone
ZINC00487899
STOCK1N-32098

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642

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
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.5972	0.8325	1
Loa Loa (eye worm)	hypothetical protein	0.2351	0.3268	0.3268
Echinococcus multilocularis		0.0155	0.0202	0.0242
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0683	0.0938	0.1305
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0155	0.0202	0.0203
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.4197	0.5846	1
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.0675	0.0811
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.5972	0.8325	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0155	0.0202	0.0202
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0155	0.0202	0.0242
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0155	0.0202	0.0242
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0683	0.0938	0.1127
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0155	0.0202	0.0242
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.4042	0.563	0.9616
Echinococcus granulosus	serine protein kinase ATM	0.0155	0.0202	0.0242
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.1341	0.1858	0.2934
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0683	0.0938	1
Echinococcus granulosus	cpg binding protein	0.0037	0.0036	0.0043
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.3187	0.4436	0.7502
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0155	0.0202	0.0202
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.2351	0.3268	0.3926
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0683	0.0938	0.1091
Onchocerca volvulus		0.0155	0.0202	1
Onchocerca volvulus		0.0155	0.0202	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1341	0.1858	0.4454
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0683	0.0938	0.1981
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0683	0.0938	1
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.0675	0.0811
Loa Loa (eye worm)	hypothetical protein	0.7171	1	1
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0155	0.0202	0.0242
Loa Loa (eye worm)	phosphatidylinositol 3	0.0155	0.0202	0.0202
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0155	0.0202	0.0203
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0155	0.0202	0.0203
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0683	0.0938	0.1305
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.4197	0.5846	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1341	0.1858	0.2934
Loa Loa (eye worm)	phosphatidylinositol 3	0.0155	0.0202	0.0202
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0683	0.0938	0.1305
Trypanosoma cruzi	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.2818	0.392	0.6588
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0155	0.0202	0.0202
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.4197	0.5846	1
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0202	0.0202
Loa Loa (eye worm)	phosphatidylinositol 3	0.0155	0.0202	0.0202
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0155	0.0202	0.5
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.5972	0.8325	1
Entamoeba histolytica	hypothetical protein	0.3538	0.4927	0.8371
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0683	0.0938	0.1981
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.1341	0.1858	0.2934
Loa Loa (eye worm)	phosphatidylinositol 3	0.5313	0.7405	0.7405
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1341	0.1858	0.1858
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.1341	0.1858	0.2934
Echinococcus multilocularis	Zinc finger, PHD finger	0.0683	0.0938	0.1127
Schistosoma mansoni	cpg binding protein	0.0037	0.0036	0.0003
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0155	0.0202	0.0242
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0155	0.0202	0.0202
Loa Loa (eye worm)	phosphatidylinositol 3	0.1186	0.1641	0.1641
Schistosoma mansoni	hypothetical protein	0.0494	0.0675	0.0774
Loa Loa (eye worm)	phosphatidylinositol 3	0.0155	0.0202	0.0202
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0034	0.0033
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.1186	0.1641	0.2551
Trypanosoma cruzi	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.2818	0.392	0.6588
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0155	0.0202	0.0202
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0683	0.0938	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0155	0.0202	0.145
Trypanosoma brucei	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.2818	0.392	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.1341	0.1858	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0202	0.0202
Schistosoma mansoni	cpg binding protein	0.0037	0.0036	0.0003
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0155	0.0202	0.0242
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0155	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.1846	0.2563	0.2563
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.4197	0.5846	1
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0683	0.0938	0.0938
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0155	0.0202	0.145
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0155	0.0202	0.0203
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.2351	0.3268	0.3926
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0088	0.0065
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0034	0.0034
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0155	0.0202	0.0242
Loa Loa (eye worm)	phosphatidylinositol 3	0.0155	0.0202	0.0202
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0155	0.0202	0.0242
Echinococcus multilocularis	cpg binding protein	0.0037	0.0036	0.0043
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.4197	0.5846	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0155	0.0202	0.145
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0683	0.0938	0.1091
Toxoplasma gondii	FATC domain-containing protein	0.0155	0.0202	0.145
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0155	0.0202	0.0203
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.4197	0.5846	1
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0683	0.0938	0.1981
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.2529	0.3516	1
Schistosoma mansoni	hypothetical protein	0.0155	0.0202	0.0203
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0155	0.0202	0.145
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0155	0.0202	0.0242
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0155	0.0202	0.0203
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0155	0.0202	0.145
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.1775	0.2464	0.2464
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0155	0.0202	0.0203
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.2351	0.3268	0.3268
Mycobacterium leprae	conserved hypothetical protein	0.0155	0.0202	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.3187	0.4436	0.7502
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0683	0.0938	0.1127
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1692	0.2349	0.3803
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0155	0.0202	0.0242
Loa Loa (eye worm)	phosphatidylinositol 3	0.0155	0.0202	0.0202
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0155	0.0202	0.0242
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.3538	0.4927	0.8371
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1341	0.1858	0.22
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0155	0.0202	0.0202
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0683	0.0938	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.4197	0.5846	0.5846
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0683	0.0938	0.0938
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0814	0.1122	0.2775
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0202	0.0202
Leishmania major	malonyl-coa decarboxylase-like protein	0.2818	0.392	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1341	0.1858	0.2934
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0683	0.0938	0.1305
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0683	0.0938	0.1127
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0683	0.0938	0.1305
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0683	0.0938	0.1305
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0155	0.0202	0.0242
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0683	0.0938	0.1305
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0155	0.0202	0.0242
Wolbachia endosymbiont of Brugia malayi	malonyl-CoA decarboxylase	0.7171	1	0.5
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0155	0.0202	0.0202
Echinococcus multilocularis	serine protein kinase ATM	0.0155	0.0202	0.0242

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.7079 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 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

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: CHEMBL1476007

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 1359803