TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.511 | Formula: C21H28O2S
H donors: 1 H acceptors: 2 LogP: 6.34 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCCCCCc1ccc(s1)CCCCc1ccccc1
InChi: 1S/C21H28O2S/c22-21(23)15-7-2-1-6-13-19-16-17-20(24-19)14-9-8-12-18-10-4-3-5-11-18/h3-5,10-11,16-17H,1-2,6-9,12-15H2,(H,22,23)
InChiKey: ZTNUWAXJRXYZNM-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-like 1	0.0063	0.12	0.2691
Onchocerca volvulus		0.0057	0.0873	0.1957
Trichomonas vaginalis	esterase, putative	0.0039	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.012	0.3928	0.881
Schistosoma mansoni	nuclear receptor	0.0057	0.0873	0.2221
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0	0.5
Toxoplasma gondii	ABC1 family protein	0.0039	0	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.012	0.3928	0.881
Onchocerca volvulus	Huntingtin homolog	0.0131	0.4459	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.012	0.3928	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.012	0.3928	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.012	0.3928	0.881
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.012	0.3928	1
Loa Loa (eye worm)	hypothetical protein	0.0131	0.4459	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.3928	0.881
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.012	0.3928	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.3928	0.881
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0057	0.0873	0.1957
Schistosoma mansoni	RAR-like nuclear receptor	0.012	0.3928	1
Brugia malayi	Steroid receptor seven-up type 2	0.012	0.3928	0.881
Brugia malayi	nuclear receptor NHR-88	0.0057	0.0873	0.1957
Echinococcus granulosus	FTZ F1 alpha	0.012	0.3928	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0063	0.12	0.2691
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0057	0.0873	0.2221
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.012	0.3928	0.881
Brugia malayi	orphan nuclear receptor NR2E1	0.0057	0.0873	0.1957
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Mycobacterium ulcerans	beta-lactamase	0.0039	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.012	0.3928	0.881
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.012	0.3928	0.881
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.012	0.3928	0.881
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.012	0.3928	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.012	0.3928	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.012	0.3928	0.881
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0063	0.12	0.3054
Onchocerca volvulus	Bile acid receptor homolog	0.012	0.3928	0.881
Loa Loa (eye worm)	hypothetical protein	0.012	0.3928	0.881
Onchocerca volvulus		0.0057	0.0873	0.1957
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0057	0.0873	0.2221
Loa Loa (eye worm)	nuclear hormone receptor	0.0057	0.0873	0.1957
Schistosoma mansoni	thyroid hormone receptor	0.012	0.3928	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0	0.5
Onchocerca volvulus	Huntingtin homolog	0.0131	0.4459	1
Schistosoma mansoni	retinoic acid receptor RXR	0.012	0.3928	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0057	0.0873	0.2221
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.012	0.3928	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.012	0.3928	1
Brugia malayi	steroid hormone receptor	0.012	0.3928	0.881
Schistosoma mansoni	zinc finger protein	0.0057	0.0873	0.2221
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.012	0.3928	0.881
Brugia malayi	tailless protein	0.0057	0.0873	0.1957
Brugia malayi	nuclear receptor NHR-88	0.012	0.3928	0.881
Mycobacterium leprae	conserved hypothetical protein	0.0039	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.012	0.3928	0.881
Brugia malayi	photoreceptor-specific nuclear receptor	0.012	0.3928	0.881
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.012	0.3928	1
Mycobacterium ulcerans	hypothetical protein	0.0039	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.012	0.3928	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.12	0.2691
Schistosoma mansoni	thyroid hormone receptor	0.012	0.3928	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0057	0.0873	0.1957
Schistosoma mansoni	nuclear hormone receptor	0.0057	0.0873	0.2221
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.012	0.3928	0.881
Brugia malayi	nuclear receptor RXR	0.0063	0.12	0.2691
Brugia malayi	hypothetical protein	0.0057	0.0873	0.1957
Loa Loa (eye worm)	hypothetical protein	0.012	0.3928	0.881
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Loa Loa (eye worm)	hypothetical protein	0.0063	0.12	0.2691
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.012	0.3928	0.881
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0	0.5
Brugia malayi	hypothetical protein	0.0131	0.4459	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Echinococcus granulosus	thyroid hormone receptor alpha	0.0057	0.0873	0.2221
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.012	0.3928	0.881
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.012	0.3928	0.881
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Onchocerca volvulus		0.012	0.3928	0.881
Mycobacterium ulcerans	lipase LipD	0.0039	0	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.012	0.3928	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0057	0.0873	0.1957
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.012	0.3928	0.881
Brugia malayi	nuclear receptor NHR-67	0.0057	0.0873	0.1957
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0057	0.0873	0.1957
Loa Loa (eye worm)	hypothetical protein	0.012	0.3928	0.881
Echinococcus multilocularis	thyroid hormone receptor alpha	0.012	0.3928	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.012	0.3928	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0057	0.0873	0.2221
Brugia malayi	hypothetical protein	0.0063	0.12	0.2691
Plasmodium vivax	hypothetical protein, conserved	0.0039	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0057	0.0873	0.2221
Brugia malayi	hypothetical protein	0.0063	0.12	0.2691
Schistosoma mansoni	nuclear receptor nhr-48	0.0057	0.0873	0.2221
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Echinococcus multilocularis	nuclear receptor nhr 48	0.0057	0.0873	0.2221
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.012	0.3928	1
Brugia malayi	nuclear receptor RXR	0.0057	0.0873	0.1957
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.012	0.3928	1
Brugia malayi	nuclear hormone receptor	0.012	0.3928	0.881
Loa Loa (eye worm)	hypothetical protein	0.0131	0.4459	1
Echinococcus granulosus	ecdysone induced protein 78C	0.012	0.3928	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.012	0.3928	0.881
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0	0.5
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0057	0.0873	0.1957
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0057	0.0873	0.2221
Brugia malayi	hypothetical protein	0.0057	0.0873	0.1957
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.012	0.3928	0.881
Loa Loa (eye worm)	hypothetical protein	0.0063	0.12	0.2691
Brugia malayi	Nuclear hormone receptor E75	0.0057	0.0873	0.1957
Loa Loa (eye worm)	hypothetical protein	0.012	0.3928	0.881
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0063	0.12	0.3054
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0057	0.0873	0.2221
Brugia malayi	ecdysone receptor	0.0057	0.0873	0.1957
Mycobacterium leprae	Probable lipase LipE	0.0039	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0063	0.12	0.2691
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.012	0.3928	1
Schistosoma mansoni	coup transcription factor	0.012	0.3928	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0063	0.12	0.3054
Loa Loa (eye worm)	hypothetical protein	0.012	0.3928	0.881
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.012	0.3928	0.881
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.012	0.3928	0.881
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0057	0.0873	0.2221
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Onchocerca volvulus	Protein ultraspiracle homolog	0.012	0.3928	0.881
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0057	0.0873	0.1957
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.012	0.3928	0.881
Echinococcus granulosus	nuclear receptor nhr 48	0.0057	0.0873	0.2221
Brugia malayi	Nuclear hormone receptor-like 1	0.012	0.3928	0.881
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.012	0.3928	1
Brugia malayi	Nuclear hormone receptor E75	0.0057	0.0873	0.1957
Brugia malayi	nuclear hormone receptor	0.0057	0.0873	0.1957
Brugia malayi	nuclear hormone receptor family member odr-7	0.0057	0.0873	0.1957
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.012	0.3928	1
Brugia malayi	conserved hypotetical protein	0.0057	0.0873	0.1957
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0063	0.12	0.2691
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.012	0.3928	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.012	0.3928	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0063	0.12	0.2691
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.012	0.3928	0.881
Loa Loa (eye worm)	DR-78	0.0057	0.0873	0.1957
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0057	0.0873	0.2221
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.012	0.3928	0.881
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0057	0.0873	0.2221
Schistosoma mansoni	nuclear hormone receptor	0.0057	0.0873	0.2221
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0063	0.12	0.3054
Schistosoma mansoni	nuclear hormone receptor	0.012	0.3928	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Brugia malayi	ecdysteroid receptor	0.012	0.3928	0.881
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0057	0.0873	0.2221
Leishmania major	hypothetical protein, conserved	0.0039	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0873	0.1957
Echinococcus multilocularis	FTZ F1 alpha	0.012	0.3928	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.012	0.3928	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.012	0.3928	0.881
Schistosoma mansoni	nuclear receptor	0.0057	0.0873	0.2221
Echinococcus multilocularis	ecdysone induced protein 78C	0.012	0.3928	1
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0	0.5

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: CHEMBL1205543

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 948838