TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 348.218 | Formula: C14H10BrN3OS
H donors: 2 H acceptors: 2 LogP: 3.65 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Brc1sc2c(c1)c(ncc2C(=O)N)Nc1ccccc1
InChi: 1S/C14H10BrN3OS/c15-11-6-9-12(20-11)10(13(16)19)7-17-14(9)18-8-4-2-1-3-5-8/h1-7H,(H2,16,19)(H,17,18)
InChiKey: WZAPQZZWZZYNQQ-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
Loa Loa (eye worm)	hypothetical protein	0.0811	0.8853	1
Echinococcus granulosus	FTZ F1 alpha	0.0811	0.8853	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0383	0.3931	0.3931
Brugia malayi	Nuclear hormone receptor-like 1	0.0429	0.4458	0.5035
Brugia malayi	hypothetical protein	0.0429	0.4458	0.5035
Loa Loa (eye worm)	hypothetical protein	0.0811	0.8853	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0158	0.1351	0.1351
Brugia malayi	nuclear receptor NHR-67	0.0383	0.3931	0.444
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0429	0.4458	0.5035
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0383	0.3931	0.444
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0112	0.0826	0.0933
Loa Loa (eye worm)	nuclear hormone receptor	0.0383	0.3931	0.4389
Brugia malayi	nuclear receptor RXR	0.0383	0.3931	0.444
Schistosoma mansoni	hypothetical protein	0.0046	0.0061	0.0069
Echinococcus multilocularis	expressed conserved protein	0.0104	0.0729	0.0729
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0811	0.8853	1
Brugia malayi	conserved hypotetical protein	0.0383	0.3931	0.444
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0383	0.3931	0.3931
Brugia malayi	hypothetical protein	0.0383	0.3931	0.444
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0111	0.0806	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0383	0.3931	0.3931
Schistosoma mansoni	nuclear hormone receptor	0.0383	0.3931	0.444
Brugia malayi	Nuclear hormone receptor E75	0.0383	0.3931	0.444
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0811	0.8853	1
Onchocerca volvulus		0.0383	0.3931	0.3638
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0811	0.8853	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0429	0.4458	0.499
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0811	0.8853	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0811	0.8853	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0811	0.8853	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0811	0.8853	1
Schistosoma mansoni	nuclear receptor	0.0383	0.3931	0.444
Brugia malayi	Niemann-Pick C1 protein precursor	0.0111	0.0806	0.0911
Brugia malayi	Nuclear hormone receptor E75	0.0383	0.3931	0.444
Onchocerca volvulus		0.0811	0.8853	1
Schistosoma mansoni	patched 1	0.0047	0.0081	0.0091
Brugia malayi	nuclear hormone receptor	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0811	0.8853	1
Schistosoma mansoni	hypothetical protein	0.0046	0.0061	0.0069
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0429	0.4458	0.4458
Schistosoma mansoni	nuclear receptor nhr-48	0.0383	0.3931	0.444
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0383	0.3931	0.3931
Brugia malayi	ecdysteroid receptor	0.0811	0.8853	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0429	0.4458	0.5035
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0811	0.8853	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0429	0.4458	0.499
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Loa Loa (eye worm)	hypothetical protein	0.0429	0.4458	0.499
Brugia malayi	steroid hormone receptor	0.0811	0.8853	1
Brugia malayi	hypothetical protein	0.0383	0.3931	0.444
Schistosoma mansoni	zinc finger protein	0.0383	0.3931	0.444
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Brugia malayi	nuclear hormone receptor family member odr-7	0.0383	0.3931	0.444
Echinococcus multilocularis	FTZ F1 alpha	0.0811	0.8853	0.8853
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0811	0.8853	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0383	0.3931	0.3638
Echinococcus multilocularis	nuclear receptor nhr 48	0.0383	0.3931	0.3931
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0383	0.3931	0.4389
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0811	0.8853	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Echinococcus granulosus	Niemann Pick C1 protein	0.0158	0.1351	0.1526
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0383	0.3931	0.444
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0811	0.8853	0.8853
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0429	0.4458	0.5035
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0811	0.8853	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0134	0.1076	0.1135
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1117	0.1181
Brugia malayi	nuclear hormone receptor	0.0383	0.3931	0.444
Echinococcus granulosus	Niemann Pick C1 protein	0.0111	0.0806	0.0911
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Loa Loa (eye worm)	hypothetical protein	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0204	0.014
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0383	0.3931	0.444
Onchocerca volvulus	Protein ultraspiracle homolog	0.0811	0.8853	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0811	0.8853	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0811	0.8853	0.8853
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0383	0.3931	0.3931
Brugia malayi	Steroid receptor seven-up type 2	0.0811	0.8853	1
Echinococcus granulosus	Protein patched homolog 1	0.0047	0.0081	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0811	0.8853	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0806	0.0827
Brugia malayi	nuclear receptor NHR-88	0.0383	0.3931	0.444
Brugia malayi	nuclear receptor RXR	0.0429	0.4458	0.5035
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Brugia malayi	Nuclear hormone receptor-like 1	0.0811	0.8853	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0811	0.8853	0.8853
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0811	0.8853	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0811	0.8853	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Schistosoma mansoni	hypothetical protein	0.0046	0.0061	0.0069
Brugia malayi	photoreceptor-specific nuclear receptor	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0811	0.8853	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0047	0.0081	0.0081
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0383	0.3931	0.444
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Schistosoma mansoni	nuclear receptor	0.0383	0.3931	0.444
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0811	0.8853	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0811	0.8853	1
Schistosoma mansoni	thyroid hormone receptor	0.0811	0.8853	1
Brugia malayi	MH2 domain containing protein	0.0134	0.1076	0.1216
Loa Loa (eye worm)	MH2 domain-containing protein	0.0134	0.1076	0.1135
Echinococcus granulosus	ecdysone induced protein 78C	0.0811	0.8853	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0047	0.0081	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0383	0.3931	0.4389
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0811	0.8853	0.8853
Loa Loa (eye worm)	steroid hormone receptor	0.0811	0.8853	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0811	0.8853	0.8853
Schistosoma mansoni	nuclear hormone receptor	0.0383	0.3931	0.444
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0811	0.8853	1
Brugia malayi	hypothetical protein	0.0429	0.4458	0.5035
Brugia malayi	CHE-14 protein	0.0047	0.0081	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1117	0.1181
Echinococcus granulosus	expressed conserved protein	0.0104	0.0729	0.0824
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0811	0.8853	1
Schistosoma mansoni	coup transcription factor	0.0811	0.8853	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0383	0.3931	0.444
Brugia malayi	tailless protein	0.0383	0.3931	0.444
Brugia malayi	hypothetical protein	0.0138	0.1117	0.1261
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0811	0.8853	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Schistosoma mansoni	nuclear hormone receptor	0.0811	0.8853	1
Echinococcus multilocularis	protein dispatched 1	0.0054	0.0158	0.0158
Schistosoma mansoni	retinoic acid receptor RXR	0.0811	0.8853	1
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0081	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.0111	0.0806	0.0806
Echinococcus multilocularis	ecdysone induced protein 78C	0.0811	0.8853	0.8853
Loa Loa (eye worm)	hypothetical protein	0.0429	0.4458	0.499
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0811	0.8853	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.3931	0.4389
Loa Loa (eye worm)	hypothetical protein	0.0429	0.4458	0.499
Loa Loa (eye worm)	hypothetical protein	0.0429	0.4458	0.499
Schistosoma mansoni	thyroid hormone receptor	0.0811	0.8853	1
Onchocerca volvulus		0.0383	0.3931	0.3638
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0383	0.3931	0.444
Echinococcus granulosus	thyroid hormone receptor alpha	0.0383	0.3931	0.444
Brugia malayi	Nuclear hormone receptor-like 1	0.0429	0.4458	0.5035
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0811	0.8853	1
Loa Loa (eye worm)	DR-78	0.0383	0.3931	0.4389
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0383	0.3931	0.444
Schistosoma mansoni	hypothetical protein	0.0046	0.0061	0.0069
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0383	0.3931	0.444
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0811	0.8853	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0811	0.8853	1
Onchocerca volvulus	Bile acid receptor homolog	0.0811	0.8853	1
Brugia malayi	nuclear receptor NHR-88	0.0811	0.8853	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0383	0.3931	0.3638
Loa Loa (eye worm)	hypothetical protein	0.0811	0.8853	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0383	0.3931	0.444
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0811	0.8853	0.8853
Brugia malayi	ecdysone receptor	0.0383	0.3931	0.444
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0811	0.8853	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0811	0.8853	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0811	0.8853	1
Echinococcus multilocularis	protein patched	0.0047	0.0081	0.0081
Schistosoma mansoni	RAR-like nuclear receptor	0.0811	0.8853	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0811	0.8853	0.8853
Brugia malayi	orphan nuclear receptor NR2E1	0.0383	0.3931	0.444

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 150 uM	Inhibition of Staphylococcus aureus LigA	ChEMBL.	24287382

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: CHEMBL3098819

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1820642