TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 418.401 | Formula: C19H22N4O7
H donors: 5 H acceptors: 8 LogP: -0.59 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1NC(=O)C)n1nnc(c1)c1ccccc1)C(=O)O)O)O
InChi: 1S/C19H22N4O7/c1-10(25)20-16-13(23-8-12(21-22-23)11-5-3-2-4-6-11)7-15(19(28)29)30-18(16)17(27)14(26)9-24/h2-8,13-14,16-18,24,26-27H,9H2,1H3,(H,20,25)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
InChiKey: SDEQKRZVSOWXBW-QBBQCFRVSA-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

No synonyms found for this compound

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
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.1387	0.1387
Schistosoma mansoni	peroxidasin	0.0046	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1387	0.1387
Brugia malayi	ecdysteroid receptor	0.0012	0.1387	0.1387
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.1387	0.1387
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.1387	0.1387
Brugia malayi	Animal haem peroxidase family protein	0.0046	1	1
Schistosoma mansoni	coup transcription factor	0.0012	0.1387	0.1387
Loa Loa (eye worm)	animal heme peroxidase	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1387	0.1387
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.1387	0.1387
Brugia malayi	Animal haem peroxidase family protein	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1387	0.1387
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1387	0.1387
Brugia malayi	nuclear hormone receptor	0.0012	0.1387	0.1387
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.1387	0.1387
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Echinococcus multilocularis	peroxidasin	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Onchocerca volvulus		0.0046	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0046	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.1387	0.1387
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.1387	0.1387
Onchocerca volvulus		0.0046	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.1387	0.1387
Loa Loa (eye worm)	animal heme peroxidase	0.0046	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.1387	0.1387
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.1387	0.1387
Onchocerca volvulus		0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1387	0.1387
Onchocerca volvulus	Peroxidase homolog	0.0046	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.1387	0.1387
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.1387	0.1387
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.1387	0.1387
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.1387	0.1387
Brugia malayi	Animal haem peroxidase family protein	0.0046	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.1387	0.1387
Brugia malayi	Peroxidasin	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.1387	0.1387
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1387	0.1387
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1387	0.1387
Onchocerca volvulus	Dual oxidase homolog	0.0046	1	1
Brugia malayi	nuclear receptor NHR-88	0.0012	0.1387	0.1387
Onchocerca volvulus	Chorion peroxidase homolog	0.0046	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.1387	0.1387
Loa Loa (eye worm)	animal heme peroxidase	0.0046	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.1387	0.1387
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1387	0.1387
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.1387	0.1387
Brugia malayi	steroid hormone receptor	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1387	0.1387
Brugia malayi	Blistered cuticle protein 3	0.0046	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.1387	0.1387
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.1387	0.1387
Onchocerca volvulus	Peroxidasin homolog	0.0046	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.1387	0.1387
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.1387	0.1387
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.1387	0.1387
Loa Loa (eye worm)	blistered cuticle protein 3	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.1387	0.1387
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.1387	0.1387
Onchocerca volvulus	Peroxidasin homolog	0.0046	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.1387	0.1387
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.1387	0.1387
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.1387	0.1387
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.1387	0.1387
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.1387	0.1387
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.1387	0.1387
Echinococcus granulosus	peroxidasin	0.0046	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.1387	0.1387
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.1387	0.1387
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.1387	0.1387
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1387	0.1387
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.1387	0.1387
Schistosoma mansoni	peroxidasin	0.0046	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0046	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.1387	0.1387
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.1387	0.1387
Brugia malayi	Animal haem peroxidase family protein	0.0046	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.1387	0.1387
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.1387	0.1387
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.1387	0.1387
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.1387	0.1387
Onchocerca volvulus	Peroxidase homolog	0.0046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 18.7 %	Antiviral activity against avian influenza virus H5N1 measured as protective rate against MDCK cells at 50 uM by neutral red uptake assay	ChEMBL.	16876409

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 371725