TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 460.28 | Formula: C23H14BrN3O3
H donors: 1 H acceptors: 4 LogP: 4.5 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc2n(c1)c1C(=O)c3ncccc3C(=O)c1c2C(=O)NCc1ccccc1
InChi: 1S/C23H14BrN3O3/c24-14-8-9-16-17(23(30)26-11-13-5-2-1-3-6-13)18-20(27(16)12-14)22(29)19-15(21(18)28)7-4-10-25-19/h1-10,12H,11H2,(H,26,30)
InChiKey: UJPWLGBOAWSCKZ-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

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
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0615	0.1537
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.4004	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0155	0.0387
Brugia malayi	nuclear hormone receptor	0.0022	0.0615	0.1537
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0164	0.0409
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0069	0.4004	0.391
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0615	0.0468
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0615	0.0468
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0615	0.1537
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0615	0.0468
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0615	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0615	0.1537
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0615	0.1537
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0615	0.0468
Onchocerca volvulus	Bile acid receptor homolog	0.0022	0.0615	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0615	0.1537
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0015	0.0155	0.0387
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0615	0.0468
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0015	0.0164	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0615	0.1537
Onchocerca volvulus		0.0022	0.0615	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0615	0.0468
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0069	0.4004	1
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0015	0.0155	0.000000074751
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0615	0.1537
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0069	0.4004	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0615	0.1537
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0615	0.1537
Echinococcus granulosus	transcription factor Dp 1	0.004	0.1931	0.2137
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0069	0.4004	0.5
Onchocerca volvulus	Protein ultraspiracle homolog	0.0022	0.0615	1
Schistosoma mansoni	hypothetical protein	0.0132	0.8468	0.8444
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0615	0.1537
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0615	0.0468
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0615	0.1537
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0615	0.0554
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0615	0.1537
Brugia malayi	Death domain containing protein	0.0015	0.0155	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0615	0.1537
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0615	0.1537
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0615	0.1537
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.4004	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0615	0.1537
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0615	0.0554
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0615	0.1537
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0615	0.0554
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0615	0.1537
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.4004	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0615	0.1537
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0615	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0615	0.1537
Brugia malayi	steroid hormone receptor	0.0022	0.0615	0.1537
Echinococcus granulosus	Ankyrin	0.0015	0.0164	0.0011
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.0615	0.0468
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0615	0.0468
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0615	0.0468
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0615	0.1537
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0615	0.1537
Brugia malayi	Uncoordinated protein 44	0.0015	0.0155	0.0387
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0077	0.4573	0.4487
Schistosoma mansoni	thyroid hormone receptor	0.0154	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0615	0.1537
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0132	0.8468	1
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0615	0.1537
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0615	0.1537
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0013	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0615	0.1537
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0615	0.0468
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0615	0.1537
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0069	0.4004	0.391
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0615	0.0468
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0615	0.0468
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0015	0.0155	0.0387
Brugia malayi	Protein kinase domain containing protein	0.0015	0.0155	0.0387
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0615	0.0468
Echinococcus multilocularis	Ankyrin	0.0015	0.0164	0.0009
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0615	0.1537
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0132	0.8468	0.8444
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0615	0.0468
Brugia malayi	ecdysteroid receptor	0.0022	0.0615	0.1537
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0069	0.4004	0.463
Schistosoma mansoni	thyroid hormone receptor	0.0154	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0615	0.0468
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0615	0.0554
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0615	0.1537
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0615	0.1537
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0015	0.0155	0.000000063116
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0022	0.0615	1
Schistosoma mansoni	ankyrin 23/unc44	0.0015	0.0155	0.000000063116
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0077	0.4573	0.5314
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0615	0.1537
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0615	0.1537
Schistosoma mansoni	coup transcription factor	0.0022	0.0615	0.0468
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0069	0.4004	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0615	0.0554
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0615	0.1537
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0615	0.0554
Echinococcus multilocularis	transcription factor Dp 1	0.004	0.1931	0.1805
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0615	0.0468
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0615	0.0554
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0615	0.0554

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)		Antifungal activity against Candida albicans ATCC 10231 by broth microdilution method	ChEMBL.	21839550
MIC (functional)		Antimicrobial activity against Escherichia coli ATCC 25922 by broth microdilution method	ChEMBL.	21839550

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: CHEMBL1831115

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1574049