TDR Targets

Basic information

Technical information

TDR Targets ID: 428562
Name: 6-(2,5-dimethylfuran-3-yl)-4-morpholin-4-yl-2 -oxopyran-3-carbonitrile
MW: 300.309 | Formula: C16H16N2O4
H donors: 0 H acceptors: 2 LogP: 1.68 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(=O)oc(cc1N1CCOCC1)c1cc(oc1C)C
InChi: 1S/C16H16N2O4/c1-10-7-12(11(2)21-10)15-8-14(13(9-17)16(19)22-15)18-3-5-20-6-4-18/h7-8H,3-6H2,1-2H3
InChiKey: XLVHDTYGOJKCNX-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

6-(2,5-dimethyl-3-furyl)-4-morpholino-2-oxo-pyran-3-carbonitrile
6-(2,5-dimethyl-3-furyl)-4-morpholino-2-oxo-3-pyrancarbonitrile
6-(2,5-dimethylfuran-3-yl)-4-morpholin-4-yl-2-oxo-pyran-3-carbonitrile
6-(2,5-dimethyl-3-furyl)-2-keto-4-morpholino-pyran-3-carbonitrile

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
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0126	0.0126
Brugia malayi	hypothetical protein	0.0229	0.6085	1
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0126	0.0206
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0126	0.0206
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1064	0.1064
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0126	0.0126
Brugia malayi	ecdysteroid receptor	0.001	0.0126	0.0206
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.1064	0.1748
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0126	0.0126
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0126	0.0126
Schistosoma mansoni	hypothetical protein	0.0047	0.1129	0.1129
Loa Loa (eye worm)	hypothetical protein	0.001	0.0126	0.0206
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0126	0.0126
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0126	0.0126
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0126	0.0206
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0126	0.0126
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0126	0.0206
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1129	0.1129
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0126	0.0126
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0126	0.0206
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0126	0.0126
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0126	0.0206
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0126	0.0206
Onchocerca volvulus		0.0047	0.1129	1
Brugia malayi	Serine/threonine-protein kinase SULU	0.0189	0.5006	0.8226
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1064	0.1064
Loa Loa (eye worm)	hypothetical protein	0.001	0.0126	0.0206
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0126	0.0126
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0126	0.0126
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0126	0.0126
Echinococcus granulosus	survival motor neuron protein 1	0.0229	0.6085	0.6085
Echinococcus multilocularis	survival motor neuron protein 1	0.0229	0.6085	0.6085
Loa Loa (eye worm)	hypothetical protein	0.0229	0.6085	1
Loa Loa (eye worm)	STE/STE20/TAO protein kinase	0.0189	0.5006	0.8226
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1064	0.1064
Echinococcus multilocularis	serine:threonine protein kinase TAO1	0.0189	0.5006	0.5006
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0373	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0126	0.0206
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0126	0.0206
Schistosoma mansoni	coup transcription factor	0.001	0.0126	0.0126
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0373	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0126	0.0206
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1064	0.1064
Loa Loa (eye worm)	hypothetical protein	0.001	0.0126	0.0206
Schistosoma mansoni	hypothetical protein	0.0164	0.4321	0.4321
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0126	0.0206
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0126	0.0126
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0126	0.0126
Loa Loa (eye worm)	hypothetical protein	0.001	0.0126	0.0206
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0126	0.0126
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0126	0.0126
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0126	0.0126
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0126	0.0206
Loa Loa (eye worm)	hypothetical protein	0.001	0.0126	0.0206
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0126	0.0206
Schistosoma mansoni	serine/threonine protein kinase	0.0189	0.5006	0.5006
Brugia malayi	nuclear hormone receptor	0.001	0.0126	0.0206
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0126	0.0126
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0126	0.0206
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0126	0.0126
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0126	0.0206
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0126	0.0126
Schistosoma mansoni	hypothetical protein	0.0164	0.4321	0.4321
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0126	0.0126
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1064	0.1064
Echinococcus multilocularis	geminin	0.0164	0.4321	0.4321
Brugia malayi	steroid hormone receptor	0.001	0.0126	0.0206
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0126	0.0206
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0126	0.0206
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1129	0.1856
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0126	0.0206
Echinococcus granulosus	serine:threonine protein kinase TAO1	0.0189	0.5006	0.5006
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0126	0.0126
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.1064	0.1748
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0126	0.0126
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0126	0.0126
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0126	0.0206
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0126	0.0126
Loa Loa (eye worm)	hypothetical protein	0.001	0.0126	0.0206
Loa Loa (eye worm)	hypothetical protein	0.001	0.0126	0.0206
Echinococcus granulosus	geminin	0.0164	0.4321	0.4321
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0126	0.0126
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0126	0.0206
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0126	0.0206
Brugia malayi	nuclear receptor NHR-88	0.001	0.0126	0.0206
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0126	0.0206
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0126	0.0126
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1064	0.1064
Loa Loa (eye worm)	hypothetical protein	0.001	0.0126	0.0206
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0126	0.0126
Brugia malayi	hypothetical protein	0.0189	0.5006	0.8226
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0126	0.0126
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0126	0.0206
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1064	0.1064
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0126	0.0126
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0126	0.0206

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 16.6 %	Antihyperglycemic activity in STZ-induced diabetic Sprague-Dawley rat assessed as decrease in blood glucose at 100 mg/kg, po after 30 mins relative to control	ChEMBL.	17336063
Activity (functional)	= 18.4 %	Antihyperglycemic activity in STZ-induced diabetic Sprague-Dawley rat assessed as decrease in blood glucose at 100 mg/kg, po after 60 mins relative to control	ChEMBL.	17336063
Activity (functional)	= 18.5 %	Antihyperglycemic activity in STZ-induced diabetic Sprague-Dawley rat assessed as decrease in blood glucose at 100 mg/kg, po after 180 mins relative to control	ChEMBL.	17336063
Activity (functional)	= 20.3 %	Antihyperglycemic activity in STZ-induced diabetic Sprague-Dawley rat assessed as decrease in blood glucose at 100 mg/kg, po after 5 hrs relative to control	ChEMBL.	17336063
Activity (functional)	= 20.7 %	Antihyperglycemic activity in STZ-induced diabetic Sprague-Dawley rat assessed as decrease in blood glucose at 100 mg/kg, po after 240 mins relative to control	ChEMBL.	17336063
Activity (functional)	= 24 %	Antihyperglycemic activity in STZ-induced diabetic Sprague-Dawley rat assessed as decrease in blood glucose at 100 mg/kg, po after 90 mins relative to control	ChEMBL.	17336063
Activity (functional)	= 29 %	Antihyperglycemic activity in STZ-induced diabetic Sprague-Dawley rat assessed as decrease in blood glucose at 100 mg/kg, po after 120 mins relative to control	ChEMBL.	17336063
Activity (functional)	= 29.7 %	Antihyperglycemic activity in STZ-induced diabetic Sprague-Dawley rat assessed as decrease in blood glucose at 100 mg/kg, po after 24 hrs relative to control	ChEMBL.	17336063

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: CHEMBL230687
PubChem: 16739298

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 428562