TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 288.405 | Formula: C17H20O2S
H donors: 1 H acceptors: 2 LogP: 4.82 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCCCCCc1scc(c1)c1ccccc1
InChi: 1S/C17H20O2S/c18-17(19)11-7-2-1-6-10-16-12-15(13-20-16)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2,(H,18,19)
InChiKey: UVQZNNUZPYPTRA-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
Plasmodium vivax	ferlin, putative	0.0029	0	0.5
Onchocerca volvulus	Putative cc2d1b protein	0.0029	0	0.5
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0237	0.6748	0.6748
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0237	0.6748	0.6748
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	synaptotagmin 1,2, putative	0.0029	0	0.5
Trypanosoma brucei	cAMP binding protein, putative	0.0029	0	0.5
Trypanosoma cruzi	Coiled-coil and C2 domain-containing protein	0.0029	0	0.5
Trichomonas vaginalis	synaptotagmin, putative	0.0029	0	0.5
Toxoplasma gondii	Sma protein	0.0029	0	0.5
Entamoeba histolytica	C2 domain containing protein	0.0029	0	0.5
Toxoplasma gondii	C2 domain-containing protein	0.0029	0	0.5
Trypanosoma brucei	predicted C2 domain protein	0.0029	0	0.5
Entamoeba histolytica	hypothetical protein	0.0029	0	0.5
Leishmania major	hypothetical protein, conserved	0.0029	0	0.5
Leishmania major	c2 domain protein, putative	0.0029	0	0.5
Trichomonas vaginalis	synaptotagmin, putative	0.0029	0	0.5
Plasmodium falciparum	ferlin, putative	0.0029	0	0.5
Onchocerca volvulus	Multiple C2 domain and transmembrane region protein homolog	0.0029	0	0.5
Entamoeba histolytica	hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	ion channel nompc, putative	0.0029	0	0.5
Plasmodium vivax	double C2-like domain-containing protein, putative	0.0029	0	0.5
Plasmodium vivax	ferlin, putative	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0	0.5
Trypanosoma brucei	predicted C2 domain protein	0.0029	0	0.5
Leishmania major	hypothetical protein, conserved	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0325	0.9587	1
Toxoplasma gondii	ferlin family protein	0.0029	0	0.5
Trichomonas vaginalis	synaptotagmin 1, 3, C.elegans, putative	0.0029	0	0.5
Leishmania major	hypothetical protein, conserved	0.0029	0	0.5
Trypanosoma cruzi	synaptotagmin, putative	0.0029	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0029	0	0.5
Toxoplasma gondii	hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	copine, putative	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Entamoeba histolytica	C2 domain containing protein	0.0029	0	0.5
Toxoplasma gondii	hypothetical protein	0.0029	0	0.5
Schistosoma mansoni	fatty-acid amide hydrolase	0.0237	0.6748	0.6748
Trichomonas vaginalis	synaptotagmin, putative	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Leishmania major	hypothetical protein, conserved	0.0029	0	0.5
Trichomonas vaginalis	copine, putative	0.0029	0	0.5
Trichomonas vaginalis	copine, putative	0.0029	0	0.5
Trichomonas vaginalis	synaptotagmin, putative	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	synaptotagmin, putative	0.0029	0	0.5
Leishmania major	c2 domain protein, putative	0.0029	0	0.5
Trypanosoma brucei	C2 domain containing protein, putative	0.0029	0	0.5
Entamoeba histolytica	DENN domain protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0	0.5
Trypanosoma cruzi	phosphoinositide-specific phospholipase C, putative	0.0029	0	0.5
Trichomonas vaginalis	copine, putative	0.0029	0	0.5
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0029	0	0.5
Entamoeba histolytica	C2 domain containing protein	0.0029	0	0.5
Trypanosoma brucei	C2 domain containing protein, putative	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trypanosoma brucei	phosphoinositide-specific phospholipase C	0.0029	0	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0029	0	0.5
Leishmania major	hypothetical protein, conserved	0.0029	0	0.5
Trichomonas vaginalis	Circumsporozoite protein precursor, putative	0.0029	0	0.5
Onchocerca volvulus		0.0029	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0237	0.6748	1
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	copine, putative	0.0029	0	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0029	0	0.5
Plasmodium falciparum	ferlin, putative	0.0029	0	0.5
Trypanosoma brucei	C2 domain/Ankyrin repeats (3 copies), putative	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trypanosoma cruzi	cAMP binding protein, putative	0.0029	0	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0029	0	0.5
Trypanosoma cruzi	cytoskeleton associated protein, putative	0.0029	0	0.5
Entamoeba histolytica	C2 domain containing protein	0.0029	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0029	0	0.5
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0237	0.6748	0.7038
Entamoeba histolytica	hypothetical protein	0.0029	0	0.5
Trypanosoma brucei	predicted C2 domain protein	0.0029	0	0.5
Trichomonas vaginalis	synaptotagmin, putative	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Entamoeba histolytica	Rap/Ran GTPase activating protein, putative	0.0029	0	0.5
Trichomonas vaginalis	synaptotagmin 1,2, putative	0.0029	0	0.5
Entamoeba histolytica	hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	synaptotagmin 1, 3, C.elegans, putative	0.0029	0	0.5
Trypanosoma cruzi	C2 domain containing protein, putative	0.0029	0	0.5
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0237	0.6748	0.7038
Trichomonas vaginalis	Proline-rich protein, putative	0.0029	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0	0.5
Trichomonas vaginalis	splicing factor 3A subunit, putative	0.0029	0	0.5
Trypanosoma brucei	C2 domain containing protein, putative	0.0029	0	0.5
Trichomonas vaginalis	calcium-dependent lipid-binding protein, putative	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	vab10 spectraplakin, putative	0.0029	0	0.5
Entamoeba histolytica	hypothetical protein	0.0029	0	0.5
Onchocerca volvulus		0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Leishmania major	phospholipase c-like protein	0.0029	0	0.5
Leishmania major	copine i-like protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Onchocerca volvulus		0.0029	0	0.5
Trypanosoma cruzi	synaptotagmin, putative	0.0029	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0029	0	0.5
Leishmania major	hypothetical protein, conserved	0.0029	0	0.5
Entamoeba histolytica	hypothetical protein	0.0029	0	0.5
Entamoeba histolytica	C2 domain containing protein	0.0029	0	0.5
Trypanosoma brucei	synaptotagmin, putative	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	annexin VII, putative	0.0029	0	0.5
Onchocerca volvulus		0.0029	0	0.5
Toxoplasma gondii	hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Entamoeba histolytica	C2 domain containing protein	0.0029	0	0.5
Onchocerca volvulus		0.0029	0	0.5
Toxoplasma gondii	phosphoinositide phospholipase PIPLC	0.0029	0	0.5
Onchocerca volvulus		0.0029	0	0.5
Trypanosoma brucei	Coiled-coil and C2 domain-containing protein	0.0029	0	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0029	0	0.5
Entamoeba histolytica	C2 domain protein, putative	0.0029	0	0.5
Entamoeba histolytica	calcium-binding protein, putative	0.0029	0	0.5
Entamoeba histolytica	C2 domain containing protein	0.0029	0	0.5
Onchocerca volvulus		0.0029	0	0.5
Trypanosoma brucei	C2 domain containing protein, putative	0.0029	0	0.5
Trypanosoma cruzi	cytoskeleton associated protein, putative	0.0029	0	0.5
Entamoeba histolytica	C2 domain containing protein	0.0029	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0	0.5
Leishmania major	hypothetical protein, conserved	0.0029	0	0.5
Entamoeba histolytica	C2 domain containing protein	0.0029	0	0.5
Toxoplasma gondii	Elicitor-responsive protein, putative	0.0029	0	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0337	1	1
Onchocerca volvulus		0.0029	0	0.5
Trichomonas vaginalis	synaptotagmin, putative	0.0029	0	0.5
Trypanosoma cruzi	C2 domain/Ankyrin repeats (3 copies), putative	0.0029	0	0.5
Plasmodium falciparum	double C2-like domain-containing protein	0.0029	0	0.5
Leishmania major	hypothetical protein, conserved	0.0029	0	0.5
Brugia malayi	amidase	0.0237	0.6748	1
Trypanosoma brucei	hypothetical protein, conserved	0.0029	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0	0.5
Schistosoma mansoni	amidase	0.0237	0.6748	0.6748
Trichomonas vaginalis	synaptotagmin 1,2, putative	0.0029	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 0 %	Percent inhibition of [3H]-LTB4 binding to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M	ChEMBL.	1324316
Inhibition (binding)	= 0 %	Percent inhibition of [3H]-LTB4 binding to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M	ChEMBL.	1324316
Inhibition (binding)	= 25 %	Tested for 50% inhibition of LTA4 hydrolase at 2*10e-5M concentration in porcine leukocyte homogenates	ChEMBL.	1324316
Inhibition (binding)	= 25 %	Tested for 50% inhibition of LTA4 hydrolase at 2*10e-5M concentration in porcine leukocyte homogenates	ChEMBL.	1324316

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: CHEMBL108983

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 179147