TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.373 | Formula: C21H31BrO3
H donors: 0 H acceptors: 2 LogP: 4.9 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: BrCCCCCCOC(=O)C(=C)[C@@H]1CC[C@@H]([C@H]2C(=C(C)C(=O)C2)C1)C
InChi: 1S/C21H31BrO3/c1-14-8-9-17(12-19-16(3)20(23)13-18(14)19)15(2)21(24)25-11-7-5-4-6-10-22/h14,17-18H,2,4-13H2,1,3H3/t14-,17+,18-/m0/s1
InChiKey: JBGDSDUCJNSYMS-QGTPRVQTSA-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-19	0.0225	0.2739	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0106	0.1133	0.3915
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Loa Loa (eye worm)	hypothetical protein	0.003	0.01	0.0363
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0225	0.2739	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0106	0.1133	0.4136
Schistosoma mansoni	nuclear receptor nhr-48	0.0106	0.1133	0.3915
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0225	0.2739	1
Echinococcus granulosus	sterol regulatory element binding protein	0.004	0.0236	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Brugia malayi	Nuclear hormone receptor E75	0.0106	0.1133	0.4136
Schistosoma mansoni	nuclear hormone receptor	0.0106	0.1133	0.3915
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0225	0.2739	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0094	0.0969	0.3293
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0225	0.2739	1
Echinococcus multilocularis	protein patched	0.004	0.0236	0.0137
Loa Loa (eye worm)	nuclear hormone receptor	0.0106	0.1133	0.4136
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0106	0.1133	0.1044
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0225	0.2739	1
Entamoeba histolytica	hypothetical protein	0.0034	0.0156	0.1641
Brugia malayi	hypothetical protein	0.0106	0.1133	0.4136
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0106	0.1133	0.4136
Schistosoma mansoni	nuclear receptor	0.0106	0.1133	0.3915
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0225	0.2739	1
Brugia malayi	hypothetical protein	0.0222	0.2703	0.9867
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Loa Loa (eye worm)	DR-78	0.0106	0.1133	0.4136
Schistosoma mansoni	hypothetical protein	0.0064	0.0565	0.1762
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0106	0.1133	0.3915
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0034	0.0156	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Loa Loa (eye worm)	hypothetical protein	0.0225	0.2739	1
Echinococcus multilocularis	protein dispatched 1	0.0045	0.0311	0.0214
Echinococcus multilocularis	ecdysone induced protein 78C	0.0225	0.2739	0.2666
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0119	0.1305	0.1218
Loa Loa (eye worm)	hypothetical protein	0.0225	0.2739	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.004	0.0236	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Brugia malayi	CHE-14 protein	0.004	0.0236	0.086
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Loa Loa (eye worm)	transcription factor SMAD2	0.0112	0.1215	0.4437
Brugia malayi	nuclear hormone receptor	0.0225	0.2739	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0225	0.2739	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0225	0.2739	1
Brugia malayi	tailless protein	0.0106	0.1133	0.4136
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0356	0.1301
Brugia malayi	ecdysteroid receptor	0.0225	0.2739	1
Schistosoma mansoni	survival motor neuron protein	0.0045	0.0312	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1063	0.3882
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0565	0.2061
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0225	0.2739	1
Schistosoma mansoni	hypothetical protein	0.0038	0.0216	0.0442
Brugia malayi	Steroid receptor seven-up type 2	0.0225	0.2739	1
Onchocerca volvulus		0.0045	0.0312	0.1137
Echinococcus multilocularis	expressed conserved protein	0.0087	0.0874	0.0782
Echinococcus multilocularis	Niemann Pick C1 protein	0.0093	0.095	0.0858
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0236	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0119	0.1305	0.4764
Onchocerca volvulus	Bile acid receptor homolog	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1305	0.4764
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0225	0.2739	1
Schistosoma mansoni	zinc finger protein	0.0106	0.1133	0.3915
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0106	0.1133	0.3915
Brugia malayi	nuclear receptor RXR	0.0106	0.1133	0.4136
Brugia malayi	hypothetical protein	0.0106	0.1133	0.4136
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0106	0.1133	0.3915
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0225	0.2739	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0106	0.1133	0.4136
Schistosoma mansoni	nuclear hormone receptor	0.0225	0.2739	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0225	0.2739	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0225	0.2739	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0106	0.1133	0.4136
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0225	0.2739	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0094	0.0965	0.3524
Entamoeba histolytica	hypothetical protein	0.0034	0.0156	0.1641
Loa Loa (eye worm)	hypothetical protein	0.0225	0.2739	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0119	0.1305	0.4764
Schistosoma mansoni	hypothetical protein	0.0038	0.0216	0.0442
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0106	0.1133	0.3915
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0094	0.0965	0.3524
Brugia malayi	hypothetical protein	0.0034	0.0156	0.0569
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1305	0.4764
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Echinococcus granulosus	expressed conserved protein	0.0087	0.0874	0.2933
Schistosoma mansoni	hypothetical protein	0.0038	0.0216	0.0442
Echinococcus granulosus	thyroid hormone receptor alpha	0.0106	0.1133	0.3915
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0225	0.2739	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0225	0.2739	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.003	0.01	0.0363
Onchocerca volvulus		0.0225	0.2739	1
Echinococcus granulosus	survival motor neuron protein 1	0.0222	0.2703	0.9862
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1305	0.4764
Entamoeba histolytica	hypothetical protein	0.0034	0.0156	0.1641
Brugia malayi	nuclear hormone receptor family member odr-7	0.0106	0.1133	0.4136
Schistosoma mansoni	hypothetical protein	0.0034	0.0156	0.0213
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0965	0.3524
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0225	0.2739	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0225	0.2739	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0106	0.1133	0.1044
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0094	0.0965	0.3524
Echinococcus multilocularis	survival motor neuron protein 1	0.0222	0.2703	0.2629
Schistosoma mansoni	transcription factor LCR-F1	0.0034	0.0156	0.0213
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0119	0.1305	0.4567
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Schistosoma mansoni	nuclear receptor	0.0106	0.1133	0.3915
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0225	0.2739	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0312	0.0803
Entamoeba histolytica	hypothetical protein	0.0034	0.0156	0.1641
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0225	0.2739	1
Brugia malayi	hypothetical protein	0.0119	0.1305	0.4764
Brugia malayi	nuclear receptor NHR-88	0.0106	0.1133	0.4136
Echinococcus granulosus	ecdysone induced protein 78C	0.0225	0.2739	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0106	0.1133	0.4136
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0225	0.2739	1
Brugia malayi	MH2 domain containing protein	0.0112	0.1215	0.4437
Loa Loa (eye worm)	hypothetical protein	0.0093	0.095	0.3466
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0119	0.1305	0.4567
Brugia malayi	latrophilin 2 splice variant baaae	0.0064	0.0565	0.2061
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0225	0.2739	0.2666
Onchocerca volvulus		0.0106	0.1133	0.4136
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0045	0.0312	0.1137
Brugia malayi	nuclear hormone receptor	0.0106	0.1133	0.4136
Echinococcus multilocularis	Niemann Pick C1 protein	0.0132	0.1486	0.1401
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1133	0.4136
Brugia malayi	conserved hypotetical protein	0.0106	0.1133	0.4136
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.004	0.0236	0.086
Brugia malayi	ecdysone receptor	0.0106	0.1133	0.4136
Schistosoma mansoni	hypothetical protein	0.0038	0.0216	0.0442
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0101	0.1063	0.3882
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0101	0.107	0.3906
Brugia malayi	Nuclear hormone receptor E75	0.0106	0.1133	0.4136
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0225	0.2739	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0112	0.1215	0.4437
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0225	0.2739	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0225	0.2739	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.003	0.01	0.0363
Brugia malayi	nuclear receptor RXR	0.0119	0.1305	0.4764
Schistosoma mansoni	RAR-like nuclear receptor	0.0225	0.2739	1
Schistosoma mansoni	thyroid hormone receptor	0.0225	0.2739	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0225	0.2739	1
Brugia malayi	steroid hormone receptor	0.0225	0.2739	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0225	0.2739	0.2666
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0106	0.1133	0.4136
Brugia malayi	Nuclear hormone receptor-like 1	0.0119	0.1305	0.4764
Echinococcus granulosus	Niemann Pick C1 protein	0.0132	0.1486	0.5253
Brugia malayi	Nuclear hormone receptor-like 1	0.0225	0.2739	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0225	0.2739	0.2666
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0106	0.1133	0.4136
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0225	0.2739	0.2666
Echinococcus granulosus	FTZ F1 alpha	0.0225	0.2739	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0222	0.2703	0.9867
Schistosoma mansoni	thyroid hormone receptor	0.0225	0.2739	1
Echinococcus granulosus	Protein patched homolog 1	0.004	0.0236	0.0515
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0106	0.1133	0.1044
Schistosoma mansoni	coup transcription factor	0.0225	0.2739	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0119	0.1305	0.4567
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0106	0.1133	0.1044
Echinococcus granulosus	transcription factor eb	0.0101	0.107	0.3676
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0034	0.0156	0.0213
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0225	0.2739	1
Schistosoma mansoni	nuclear hormone receptor	0.0106	0.1133	0.3915
Echinococcus multilocularis	transcription factor eb	0.0101	0.107	0.098
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0225	0.2739	1
Echinococcus multilocularis	FTZ F1 alpha	0.0225	0.2739	0.2666
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0106	0.1133	0.1044
Echinococcus granulosus	Niemann Pick C1 protein	0.0093	0.095	0.322
Loa Loa (eye worm)	steroid hormone receptor	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0225	0.2739	1
Loa Loa (eye worm)	hypothetical protein	0.0225	0.2739	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0093	0.095	0.3466
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1305	0.4764
Brugia malayi	hypothetical protein	0.0119	0.1305	0.4764
Schistosoma mansoni	patched 1	0.004	0.0236	0.0515
Brugia malayi	nuclear receptor NHR-67	0.0106	0.1133	0.4136
Brugia malayi	Latrophilin receptor protein 2	0.003	0.01	0.0363
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0225	0.2739	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0225	0.2739	0.2666
Echinococcus granulosus	nuclear receptor nhr 48	0.0106	0.1133	0.3915
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0106	0.1133	0.1044
Onchocerca volvulus		0.0106	0.1133	0.4136
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0225	0.2739	0.2666
Loa Loa (eye worm)	hypothetical protein	0.004	0.0236	0.086
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0225	0.2739	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0225	0.2739	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0093	0.095	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1305	0.4764
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0225	0.2739	0.2666
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0106	0.1133	0.3915
Brugia malayi	nuclear receptor NHR-88	0.0225	0.2739	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0225	0.2739	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0225	0.2739	1

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

ChEMBL: CHEMBL1956403

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 1620744