TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 317.177 | Formula: C16H13BrO2
H donors: 0 H acceptors: 1 LogP: 3.97 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C/C=C/c1ccccc1OCc1ccc(cc1)Br
InChi: 1S/C16H13BrO2/c17-15-9-7-13(8-10-15)12-19-16-6-2-1-4-14(16)5-3-11-18/h1-11H,12H2/b5-3+
InChiKey: MQFIKHZZAKNWEN-HWKANZROSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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)	nuclear hormone receptor family member nhr-41	0.001	0.0174	0.0263
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.054	0.0748
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0019	0.0228
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0174	0.2128
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0818	0.5343
Trypanosoma brucei	telomerase reverse transcriptase	0.0088	0.2618	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0174	0.0263
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0174	0.0241
Loa Loa (eye worm)	hypothetical protein	0.001	0.0174	0.0263
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0174	0.0263
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0174	0.2128
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0174	0.0241
Loa Loa (eye worm)	hypothetical protein	0.001	0.0174	0.0263
Leishmania major	telomerase reverse transcriptase, putative	0.0088	0.2618	1
Schistosoma mansoni	DNA helicase recq5	0.0009	0.0132	0.0861
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0009	0.0132	0.0199
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0174	0.0241
Brugia malayi	nuclear receptor RXR	0.0006	0.0019	0.0026
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0174	0.0241
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0019	0.0456	0.1304
Echinococcus multilocularis	lamin dm0	0.0028	0.0724	0.885
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0174	0.2128
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0174	0.0241
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0818	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0174	0.0263
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0088	0.2618	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0019	0.0028
Entamoeba histolytica	recQ family helicase, putative	0.0012	0.0216	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0174	0.1137
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0818	0.5343
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0019	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0818	0.1234
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0019	0.0122
Toxoplasma gondii	RNA-directed DNA polymerase	0.0088	0.2618	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0132	0.0182
Echinococcus granulosus	lamin	0.0028	0.0724	0.885
Onchocerca volvulus		0.0028	0.0724	0.0724
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0174	0.2128
Brugia malayi	steroid hormone receptor	0.001	0.0174	0.0241
Loa Loa (eye worm)	RecQ helicase	0.0022	0.054	0.0815
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0174	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0253	0.0381
Loa Loa (eye worm)	hypothetical protein	0.001	0.0174	0.0263
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0174	0.2128
Plasmodium vivax	SET domain protein, putative	0.0031	0.0818	0.2184
Onchocerca volvulus		0.0028	0.0724	0.0724
Loa Loa (eye worm)	hypothetical protein	0.001	0.0174	0.0263
Schistosoma mansoni	DNA helicase recq1	0.0009	0.0132	0.0861
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0174	0.2128
Giardia lamblia	Telomerase catalytic subunit	0.0088	0.2618	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0019	0.0026
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0174	0.1137
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0269	0.3288
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0019	0.0028
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0174	0.1137
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0009	0.0132	0.1611
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0088	0.2618	1
Brugia malayi	Pre-SET motif family protein	0.0216	0.6632	0.9178
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0174	0.1137
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0088	0.2618	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0269	0.0406
Brugia malayi	hypothetical protein	0.0006	0.0019	0.0026
Echinococcus granulosus	intermediate filament protein	0.0028	0.0724	0.885
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0009	0.0132	0.1611
Brugia malayi	Pre-SET motif family protein	0.0031	0.0818	0.1132
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0174	0.0241
Loa Loa (eye worm)	hypothetical protein	0.001	0.0174	0.0263
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0009	0.0132	0.1611
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0174	0.0174
Brugia malayi	nuclear receptor NHR-88	0.001	0.0174	0.0241
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.054	0.0441
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0174	0.0263
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.054	0.0441
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0174	0.0174
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0174	0.0241
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0724	0.4728
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0019	0.0028
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0174	0.0241
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0174	0.2128
Plasmodium falciparum	telomerase reverse transcriptase	0.0088	0.2618	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0316	0.0437
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0174	0.2128
Onchocerca volvulus		0.001	0.0174	0.0174
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0782	0.9562
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0724	0.1002
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0174	0.2128
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0174	0.2128
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0174	0.2128
Schistosoma mansoni	lamin	0.0028	0.0724	0.4728
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0174	0.1137
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0174	0.1137
Loa Loa (eye worm)	hypothetical protein	0.001	0.0174	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0708	0.1067
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0174	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0019	0.0028
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0174	0.1137
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0174	0.0263
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0174	0.1137
Loa Loa (eye worm)	hypothetical protein	0.001	0.0174	0.0263
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0174	0.2128
Schistosoma mansoni	blooms syndrome DNA helicase	0.0017	0.0394	0.2573
Echinococcus multilocularis	lamin	0.0028	0.0724	0.885
Schistosoma mansoni	lamin	0.0028	0.0724	0.4728
Loa Loa (eye worm)	hypothetical protein	0.0018	0.04	0.0602
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0818	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0174	0.2128
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0174	0.0241
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0174	0.0174
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0724	0.1092
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0174	0.0263
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0174	0.0241
Echinococcus granulosus	lamin dm0	0.0028	0.0724	0.885
Schistosoma mansoni	hypothetical protein	0.0054	0.1531	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0174	0.0263
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0316	0.0476
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0174	0.1137
Schistosoma mansoni	coup transcription factor	0.001	0.0174	0.1137
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0269	0.3288
Brugia malayi	intermediate filament protein	0.0028	0.0724	0.1002
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0174	0.0241
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0174	0.1137
Onchocerca volvulus		0.0031	0.0818	0.0818
Onchocerca volvulus		0.0246	0.757	0.757
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0818	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0174	0.2128
Trichomonas vaginalis	set domain proteins, putative	0.0246	0.757	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0132	0.0199
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0174	0.2128
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0216	0.6632	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0132	0.0182
Brugia malayi	Telomerase reverse transcriptase	0.0235	0.7226	1
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0009	0.0132	0.1611
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0019	0.0028
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0818	0.276
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0174	0.0241
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0174	0.0241
Echinococcus granulosus	bloom syndrome protein	0.0022	0.054	0.6606
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0019	0.0122
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0818	0.5343
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0174	0.0241
Echinococcus multilocularis	musashi	0.0028	0.0724	0.885
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0174	0.1137
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0174	0.2128
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0253	0.0381
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.054	0.6606
Brugia malayi	ecdysteroid receptor	0.001	0.0174	0.0241
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0818	0.5343
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0174	0.1137
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0019	0.0028
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0174	0.2128
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0132	0.00000000052618
Brugia malayi	hypothetical protein	0.0006	0.0019	0.0026
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0174	0.0263
Brugia malayi	nuclear hormone receptor	0.001	0.0174	0.0241
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0015	0.031	0.0715
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0174	0.2128
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0724	0.1092
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0019	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0724	0.1092

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 71 %	Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4	ChEMBL.	10969976
Inhibition (binding)	= 71 %	Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4	ChEMBL.	10969976

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.

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

Detailed information for compound 78491