TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 499.48 | Formula: C28H35BrO3
H donors: 1 H acceptors: 2 LogP: 6.23 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O[C@H]1CC[C@]2([C@@]3(C1)O[C@H]3C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)/C=C/c1ccccc1Br)C)C
InChi: 1S/C28H35BrO3/c1-26-13-12-21-19(15-25-28(32-25)16-18(30)11-14-27(21,28)2)20(26)8-9-22(26)24(31)10-7-17-5-3-4-6-23(17)29/h3-7,10,18-22,25,30H,8-9,11-16H2,1-2H3/b10-7+/t18-,19-,20-,21-,22+,25-,26-,27+,28-/m0/s1
InChiKey: FGDPRVRXYITVBK-GSUISMKLSA-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
Plasmodium vivax	acyl-CoA synthetase, putative	0.0074	0.0545	0.5
Echinococcus granulosus	tumor protein p63	0.0391	0.496	0.4743
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0288	0.3523	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0136	0.1408	0.1408
Loa Loa (eye worm)	hypothetical protein	0.0288	0.3523	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0136	0.1408	0.1038
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0413	0.1172
Schistosoma mansoni	nuclear hormone receptor	0.0136	0.1408	0.1408
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0288	0.3523	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0099	0.0892	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0136	0.1408	0.1038
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0099	0.0892	0.5
Onchocerca volvulus		0.0288	0.3523	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0545	0.1547
Brugia malayi	Pre-SET motif family protein	0.0227	0.268	0.7607
Onchocerca volvulus	Protein ultraspiracle homolog	0.0288	0.3523	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Brugia malayi	nuclear hormone receptor	0.0288	0.3523	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0892	0.2532
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0288	0.3523	0.3245
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0136	0.1408	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0288	0.3523	1
Brugia malayi	conserved hypotetical protein	0.0136	0.1408	0.3996
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0136	0.1408	0.3996
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0099	0.0892	1
Loa Loa (eye worm)	hypothetical protein	0.0288	0.3523	1
Schistosoma mansoni	nuclear hormone receptor	0.0288	0.3523	0.3523
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0288	0.3523	1
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0413	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0892	0.2532
Schistosoma mansoni	RAR-like nuclear receptor	0.0288	0.3523	0.3523
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0288	0.3523	1
Schistosoma mansoni	nuclear receptor	0.0136	0.1408	0.1408
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0222	0.0631
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0152	0.1635	0.4639
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0288	0.3523	0.3245
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0288	0.3523	0.3523
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0288	0.3523	1
Brugia malayi	TAR-binding protein	0.0064	0.0413	0.1172
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0288	0.3523	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0222	0.0631
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0413	0.0413
Loa Loa (eye worm)	steroid hormone receptor	0.0288	0.3523	1
Loa Loa (eye worm)	hypothetical protein	0.0288	0.3523	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0288	0.3523	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0288	0.3523	0.3245
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0288	0.3523	0.3245
Brugia malayi	hypothetical protein	0.0152	0.1635	0.4639
Brugia malayi	nuclear receptor NHR-67	0.0136	0.1408	0.3996
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0152	0.1635	0.1635
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0099	0.0892	0.5
Onchocerca volvulus		0.0259	0.3117	0.8733
Brugia malayi	nuclear receptor RXR	0.0136	0.1408	0.3996
Schistosoma mansoni	retinoic acid receptor RXR	0.0288	0.3523	0.3523
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0222	0.0631
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0288	0.3523	0.3245
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0136	0.1408	0.1408
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0288	0.3523	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0288	0.3523	0.3245
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0288	0.3523	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0288	0.3523	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0316	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0288	0.3523	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0545	0.1547
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1635	0.4639
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1635	0.4639
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0136	0.1408	0.3406
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0099	0.0892	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0892	0.2532
Brugia malayi	Nuclear hormone receptor E75	0.0136	0.1408	0.3996
Brugia malayi	tailless protein	0.0136	0.1408	0.3996
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0222	0.0631
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0136	0.1408	0.1038
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0413	0.0413
Brugia malayi	photoreceptor-specific nuclear receptor	0.0288	0.3523	1
Brugia malayi	Nuclear hormone receptor E75	0.0136	0.1408	0.3996
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0288	0.3523	0.3245
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0288	0.3523	0.3523
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0099	0.0892	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0413	0.0413
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0288	0.3523	0.3245
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0288	0.3523	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0099	0.0892	0.5
Brugia malayi	nuclear hormone receptor	0.0136	0.1408	0.3996
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0136	0.1408	0.3996
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0136	0.1408	0.3406
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0288	0.3523	0.3245
Brugia malayi	Nuclear hormone receptor-like 1	0.0152	0.1635	0.4639
Echinococcus multilocularis	FTZ F1 alpha	0.0288	0.3523	0.3245
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0152	0.1635	0.1635
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0136	0.1408	0.3996
Schistosoma mansoni	nuclear receptor	0.0136	0.1408	0.1408
Echinococcus granulosus	thyroid hormone receptor alpha	0.0136	0.1408	0.1038
Loa Loa (eye worm)	nuclear hormone receptor	0.0136	0.1408	0.3996
Onchocerca volvulus	Bile acid receptor homolog	0.0288	0.3523	1
Onchocerca volvulus		0.0099	0.0892	0.1797
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0152	0.1635	0.1274
Brugia malayi	ecdysteroid receptor	0.0288	0.3523	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0136	0.1408	0.3996
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0288	0.3523	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0892	1
Brugia malayi	nuclear receptor NHR-88	0.0136	0.1408	0.3996
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0288	0.3523	0.3245
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0288	0.3523	0.3245
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0288	0.3523	0.3523
Leishmania major	4-coumarate:coa ligase-like protein	0.0099	0.0892	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0892	0.2532
Echinococcus multilocularis	tumor protein p63	0.0391	0.496	0.4743
Schistosoma mansoni	nuclear hormone receptor	0.0136	0.1408	0.1408
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1635	0.4639
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0288	0.3523	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0152	0.1635	0.4639
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0227	0.268	0.7607
Loa Loa (eye worm)	hypothetical protein	0.0288	0.3523	1
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0892	0.2532
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1635	0.4639
Schistosoma mansoni	cellular tumor antigen P53	0.0057	0.0316	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0545	0.1547
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0074	0.0545	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0413	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Brugia malayi	nuclear receptor NHR-88	0.0288	0.3523	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0288	0.3523	0.3245
Schistosoma mansoni	nuclear receptor nhr-48	0.0136	0.1408	0.1408
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0136	0.1408	0.1038
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0288	0.3523	1
Mycobacterium ulcerans	hypothetical protein	0.0099	0.0892	1
Schistosoma mansoni	thyroid hormone receptor	0.0288	0.3523	0.3523
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0288	0.3523	0.3523
Echinococcus multilocularis	ecdysone induced protein 78C	0.0288	0.3523	0.3245
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0413	0.1172
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0152	0.1635	0.1274
Loa Loa (eye worm)	hypothetical protein	0.0288	0.3523	1
Brugia malayi	hypothetical protein	0.0152	0.1635	0.4639
Echinococcus granulosus	nuclear receptor nhr 48	0.0136	0.1408	0.1038
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0136	0.1408	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0288	0.3523	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0288	0.3523	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0288	0.3523	0.3245
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0413	0.1172
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0136	0.1408	0.1038
Leishmania major	4-coumarate:coa ligase-like protein	0.0099	0.0892	0.5
Loa Loa (eye worm)	hypothetical protein	0.0288	0.3523	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0099	0.0892	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0288	0.3523	0.3245
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0288	0.3523	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0099	0.0892	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0413	0.0413
Plasmodium falciparum	acyl-CoA synthetase	0.0074	0.0545	0.5
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1635	0.4639
Onchocerca volvulus		0.0136	0.1408	0.3406
Onchocerca volvulus		0.0136	0.1408	0.3406
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0288	0.3523	0.3523
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0288	0.3523	0.3523
Loa Loa (eye worm)	DR-78	0.0136	0.1408	0.3996
Echinococcus granulosus	FTZ F1 alpha	0.0288	0.3523	0.3245
Schistosoma mansoni	thyroid hormone receptor	0.0288	0.3523	0.3523
Brugia malayi	steroid hormone receptor	0.0288	0.3523	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0136	0.1408	0.1038
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0136	0.1408	0.1038
Schistosoma mansoni	coup transcription factor	0.0288	0.3523	0.3523
Brugia malayi	AMP-binding enzyme family protein	0.0099	0.0892	0.2532
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0288	0.3523	0.3245
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0288	0.3523	0.3523
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0288	0.3523	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0099	0.0892	0.5
Schistosoma mansoni	zinc finger protein	0.0136	0.1408	0.1408
Leishmania major	4-coumarate:coa ligase-like protein	0.0099	0.0892	0.5
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Brugia malayi	nuclear receptor RXR	0.0152	0.1635	0.4639
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0136	0.1408	0.3996
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0288	0.3523	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0288	0.3523	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0099	0.0892	1
Brugia malayi	hypothetical protein	0.0136	0.1408	0.3996
Brugia malayi	hypothetical protein	0.0136	0.1408	0.3996
Brugia malayi	RNA binding protein	0.0064	0.0413	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0545	0.1547
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0892	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0288	0.3523	1
Brugia malayi	Steroid receptor seven-up type 2	0.0288	0.3523	1
Trichomonas vaginalis	set domain proteins, putative	0.0259	0.3117	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0288	0.3523	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1408	0.3996
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0074	0.0545	0.139
Mycobacterium ulcerans	acyl-CoA synthetase	0.0099	0.0892	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0136	0.1408	0.1038
Brugia malayi	nuclear hormone receptor family member odr-7	0.0136	0.1408	0.3996
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0545	0.1547
Brugia malayi	ecdysone receptor	0.0136	0.1408	0.3996

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: CHEMBL1957699

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 1616752