TDR Targets

Basic information

Technical information

TDR Targets ID: 786412
Name: N-(3-methoxypropyl)-3-oxo-2-propan-2-yl-2,4-d ihydro-1H-quinoxaline-6-carboxamide
MW: 305.372 | Formula: C16H23N3O3
H donors: 3 H acceptors: 2 LogP: 1.74 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COCCCNC(=O)c1ccc2c(c1)NC(=O)C(N2)C(C)C
InChi: 1S/C16H23N3O3/c1-10(2)14-16(21)19-13-9-11(5-6-12(13)18-14)15(20)17-7-4-8-22-3/h5-6,9-10,14,18H,4,7-8H2,1-3H3,(H,17,20)(H,19,21)
InChiKey: CJVSIUZULSSMKT-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-isopropyl-N-(3-methoxypropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
2-isopropyl-3-keto-N-(3-methoxypropyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
C209-0239
NCGC00105637-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055

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
Brugia malayi	Nuclear hormone receptor-like 1	0.1548	0.9644	0.9644
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0781	0.4666	1
Brugia malayi	RNA binding protein	0.0076	0.0098	0.0098
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0098	0.0209
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0098	0.0101
Brugia malayi	Nuclear hormone receptor-like 1	0.1548	0.9644	0.9644
Brugia malayi	steroid hormone receptor	0.0116	0.0356	0.0356
Brugia malayi	nuclear receptor NHR-88	0.0116	0.0356	0.0356
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0098	0.0209
Schistosoma mansoni	hypothetical protein	0.0664	0.3911	0.8382
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.0878	0.2244
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0098	0.0209
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0116	0.0356	0.0763
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0098	0.0209
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0116	0.0356	0.0763
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0098	0.0209
Echinococcus granulosus	ecdysone induced protein 78C	0.0116	0.0356	0.091
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0116	0.0356	0.0356
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0116	0.0356	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0356	0.0369
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0116	0.0356	0.0763
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0116	0.0356	0.0356
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0116	0.0356	0.091
Loa Loa (eye worm)	steroid hormone receptor	0.0116	0.0356	0.0369
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0116	0.0356	0.0356
Schistosoma mansoni	alpha-glucosidase	0.0169	0.07	0.15
Onchocerca volvulus		0.0116	0.0356	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0116	0.0356	0.0369
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0116	0.0356	0.091
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.0878	0.0878
Echinococcus multilocularis	ecdysone induced protein 78C	0.0116	0.0356	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0356	0.0369
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0116	0.0356	0.0356
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0098	0.0209
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0116	0.0356	0.0763
Schistosoma mansoni	thyroid hormone receptor	0.0781	0.4666	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0098	0.0249
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0116	0.0356	0.0369
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0116	0.0356	0.0763
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0116	0.0356	0.0356
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.1548	0.9644	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0116	0.0356	0.0369
Brugia malayi	TAR-binding protein	0.0076	0.0098	0.0098
Brugia malayi	photoreceptor-specific nuclear receptor	0.0116	0.0356	0.0356
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0116	0.0356	0.091
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0356	0.0369
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0664	0.3911	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0116	0.0356	0.0356
Schistosoma mansoni	RAR-like nuclear receptor	0.0116	0.0356	0.0763
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0116	0.0356	0.091
Loa Loa (eye worm)	hypothetical protein	0.1541	0.9601	0.9956
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0116	0.0356	0.0763
Schistosoma mansoni	coup transcription factor	0.0116	0.0356	0.0763
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0116	0.0356	0.0763
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0116	0.0356	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0356	0.0369
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0116	0.0356	0.0763
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0116	0.0356	0.0763
Onchocerca volvulus	Bile acid receptor homolog	0.0116	0.0356	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0116	0.0356	0.0763
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0116	0.0356	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0356	0.0369
Brugia malayi	ecdysteroid receptor	0.0116	0.0356	0.0356
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0116	0.0356	0.0356
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0116	0.0356	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0098	0.0098
Echinococcus multilocularis	FTZ F1 alpha	0.0116	0.0356	0.0763
Schistosoma mansoni	nuclear hormone receptor	0.0116	0.0356	0.0763
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.0878	0.091
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0116	0.0356	0.0763
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0116	0.0356	0.0356
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0116	0.0356	0.0369
Schistosoma mansoni	alpha-glucosidase	0.0169	0.07	0.15
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0664	0.3911	0.8382
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0116	0.0356	0.0369
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0098	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0356	0.0369
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0116	0.0356	0.0356
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0116	0.0356	0.091
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0116	0.0356	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0356	0.0369
Echinococcus granulosus	FTZ F1 alpha	0.0116	0.0356	0.091
Schistosoma mansoni	thyroid hormone receptor	0.0781	0.4666	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0116	0.0356	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0356	0.0369
Brugia malayi	nuclear hormone receptor	0.0116	0.0356	0.0356
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0116	0.0356	0.091
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.0878	0.1881
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0116	0.0356	0.0356
Brugia malayi	Steroid receptor seven-up type 2	0.0116	0.0356	0.0356
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0116	0.0356	0.0763
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0116	0.0356	0.0356
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0116	0.0356	0.091
Onchocerca volvulus	Protein ultraspiracle homolog	0.0116	0.0356	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0098	0.0101
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0116	0.0356	0.0369
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.0878	0.1881

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	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: CHEMBL1535178
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 786412