TDR Targets

Basic information

Technical information

TDR Targets ID: 779027
Name: 1-(6-furan-2-yl-3-methylsulfanyl-6H-[1,2,4]tr iazino[5,6-d][3,1]benzoxazepin-7-yl)propan-1- one
MW: 368.41 | Formula: C18H16N4O3S
H donors: 0 H acceptors: 4 LogP: 2.34 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=O)N1c2ccccc2c2c(OC1c1ccco1)nc(nn2)SC
InChi: 1S/C18H16N4O3S/c1-3-14(23)22-12-8-5-4-7-11(12)15-16(19-18(26-2)21-20-15)25-17(22)13-9-6-10-24-13/h4-10,17H,3H2,1-2H3
InChiKey: GAIBFHSIKMXJJQ-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

1-[6-(2-furyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
1-[6-(2-furyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
EU-0046588
Oprea1_566199

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 multilocularis	pyruvate kinase	0.0034	0.3513	0.3513
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.3513	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0064	1	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0034	0.3513	0.5
Trypanosoma brucei	pyruvate kinase 1, putative	0.0034	0.3513	0.5
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0041	0.5052	0.5052
Echinococcus granulosus	pyruvate kinase	0.0034	0.3513	0.3513
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0034	0.3513	0.5
Echinococcus granulosus	tar DNA binding protein	0.0064	1	1
Mycobacterium ulcerans	pyruvate kinase	0.0034	0.3513	0.5
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.3513	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.9163	0.9128
Schistosoma mansoni	metabotropic glutamate receptor	0.0041	0.5052	0.5052
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0034	0.3513	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1329	0.096
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0044	0.5765	0.5081
Trichomonas vaginalis	pyruvate kinase, putative	0.0034	0.3513	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0064	1	1
Echinococcus multilocularis	pyruvate kinase	0.0027	0.1992	0.1992
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0034	0.3513	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0064	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.3513	0.3237
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.006	0.9163	0.9163
Leishmania major	pyruvate kinase	0.0034	0.3513	0.5
Echinococcus granulosus	pyruvate kinase	0.0034	0.3513	0.3513
Schistosoma mansoni	pyruvate kinase	0.0034	0.3513	0.3513
Trypanosoma brucei	pyruvate kinase 1	0.0034	0.3513	0.5
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0056	0.8181	0.8181
Chlamydia trachomatis	pyruvate kinase	0.0034	0.3513	0.5
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.3513	0.3237
Echinococcus multilocularis	pyruvate kinase	0.0034	0.3513	0.3513
Echinococcus granulosus	metabotropic glutamate receptor 5	0.006	0.9163	0.9163
Echinococcus multilocularis	tar DNA binding protein	0.0064	1	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.3513	0.5
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0034	0.3513	0.2465
Plasmodium vivax	pyruvate kinase, putative	0.0034	0.3513	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	1	1
Leishmania major	pyruvate kinase	0.0034	0.3513	0.5
Trichomonas vaginalis	pyruvate kinase, putative	0.0034	0.3513	0.5
Schistosoma mansoni	metabotropic glutamate receptor	0.0024	0.139	0.139
Loa Loa (eye worm)	TAR-binding protein	0.0064	1	1
Loa Loa (eye worm)	pyruvate kinase-PB	0.0024	0.1329	0.096
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0034	0.3513	0.2465
Plasmodium falciparum	pyruvate kinase	0.0034	0.3513	1
Giardia lamblia	Pyruvate kinase	0.0034	0.3513	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0041	0.5052	0.5052
Schistosoma mansoni	pyruvate kinase	0.0034	0.3513	0.3513
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0049	0.6748	0.6223
Schistosoma mansoni	tar DNA-binding protein	0.0064	1	1
Loa Loa (eye worm)	glutamate receptor	0.0049	0.6748	0.661
Schistosoma mansoni	tar DNA-binding protein	0.0064	1	1
Brugia malayi	TAR-binding protein	0.0064	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	1	1
Toxoplasma gondii	pyruvate kinase PyK1	0.0034	0.3513	1
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.3513	0.3237
Loa Loa (eye worm)	RNA binding protein	0.0064	1	1
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.3513	0.3237
Entamoeba histolytica	pyruvate kinase, putative	0.0024	0.1329	0.5

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 779027