TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 275.388 | Formula: C11H17NO3S2
H donors: 0 H acceptors: 3 LogP: 3.3 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(CSc1cccc(n1)OS(=O)(=O)C)(C)C
InChi: 1S/C11H17NO3S2/c1-11(2,3)8-16-10-7-5-6-9(12-10)15-17(4,13)14/h5-7H,8H2,1-4H3
InChiKey: CJGBUNIKBUWHRL-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	RNA, U transporter 1	0.0084	0.0399	0.0399
Leishmania major	sphingosine 1-phosphate lyase	0.1712	1	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0109	0.0109
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.012	0.012
Loa Loa (eye worm)	TDC-1 protein	0.0196	0.1061	0.1061
Schistosoma mansoni	sphingosine phosphate lyase	0.1712	1	1
Echinococcus multilocularis	sphingosine 1 phosphate lyase 1	0.1712	1	1
Onchocerca volvulus		0.0305	0.1702	0.5
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0034	0.0034
Schistosoma mansoni	transient receptor potential channel	0.0065	0.0292	0.0292
Mycobacterium ulcerans	glutamate decarboxylase	0.0196	0.1061	0.5
Schistosoma mansoni	phenylalanine decarboxylase	0.0196	0.1061	0.1061
Echinococcus multilocularis	aromatic amino acid decarboxylase	0.0196	0.1061	0.1061
Trypanosoma brucei	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0196	0.1061	0.1061
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0079	0.0079
Schistosoma mansoni	hypothetical protein	0.0171	0.0913	0.0913
Schistosoma mansoni	ran	0.0022	0.0034	0.0034
Echinococcus granulosus	transient receptor potential ion channel A	0.0096	0.047	0.047
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0817	0.4724	0.4724
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0022	0.0034	0.5
Loa Loa (eye worm)	sphingosine-1-phosphate lyase 1	0.0196	0.1061	0.1061
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0047	0.0047
Trypanosoma brucei	sphingosine 1-phosphate lyase, putative	0.1712	1	1
Trypanosoma cruzi	sphingosine 1-phosphate lyase, putative	0.1712	1	1
Echinococcus granulosus	sphingosine 1 phosphate lyase 1	0.1712	1	1
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0047	0.0126
Entamoeba histolytica	s phingosine-1-phosphate lyase 1, putative	0.1712	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0104	0.0104
Entamoeba histolytica	hypothetical protein	0.0036	0.012	0.0087
Echinococcus granulosus	geminin	0.0171	0.0913	0.0913
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0037	0.0123	0.0123
Loa Loa (eye worm)	glutamate decarboxylase GAD1	0.0196	0.1061	0.1061
Brugia malayi	MH2 domain containing protein	0.012	0.0615	0.0615
Brugia malayi	Importin beta-1 subunit	0.0029	0.0079	0.0079
Schistosoma mansoni	ran	0.0022	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0123	0.0123
Schistosoma mansoni	transient receptor potential channel	0.0065	0.0292	0.0292
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0034	0.0034
Schistosoma mansoni	hypothetical protein	0.0171	0.0913	0.0913
Brugia malayi	hypothetical protein	0.0305	0.1702	0.1702
Echinococcus multilocularis	short transient receptor potential channel 6	0.0065	0.0292	0.0292
Trypanosoma cruzi	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0196	0.1061	0.1061
Loa Loa (eye worm)	aromatic L-amino acid decarboxylase	0.0196	0.1061	0.1061
Schistosoma mansoni	transient receptor potential channel 4	0.0099	0.0489	0.0489
Loa Loa (eye worm)	hypothetical protein	0.1712	1	1
Echinococcus multilocularis	pyridoxal dependent decarboxylase	0.0196	0.1061	0.1061
Schistosoma mansoni	hypothetical protein	0.0036	0.012	0.012
Leishmania major	GTP-binding protein, putative	0.0022	0.0034	0.0034
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.012	0.012
Trichomonas vaginalis	group II pyridoxal-5-phosphate decarboxylase, putative	0.0196	0.1061	1
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0022	0.0034	0.4239
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0489	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0109	0.0109
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0079	0.0079
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0047	0.0126
Echinococcus granulosus	aromatic amino acid decarboxylase	0.0196	0.1061	0.1061
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0079	1
Echinococcus multilocularis	snurportin 1	0.0314	0.1756	0.1756
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.012	0.012
Schistosoma mansoni	phenylalanine decarboxylase	0.0196	0.1061	0.1061
Entamoeba histolytica	hypothetical protein	0.0036	0.012	0.0087
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.0615	0.0615
Trypanosoma cruzi	hypothetical protein, conserved	0.0196	0.1061	0.1061
Schistosoma mansoni	phenylalanine decarboxylase	0.0196	0.1061	0.1061
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0202	0.0202
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0034	0.0034
Mycobacterium tuberculosis	Probable glutamate decarboxylase GadB	0.0196	0.1061	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0314	0.1756	0.1756
Brugia malayi	Aromatic-L-amino-acid decarboxylase	0.0196	0.1061	0.1061
Echinococcus granulosus	transient receptor potential gamma protein	0.0099	0.0489	0.0489
Brugia malayi	hypothetical protein	0.0036	0.012	0.012
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0079	1
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0022	0.0034	0.0034
Echinococcus granulosus	TRP transient receptor potential channel	0.0037	0.0123	0.0123
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0202	0.0202
Echinococcus granulosus	short transient receptor potential channel 6	0.0065	0.0292	0.0292
Entamoeba histolytica	hypothetical protein	0.0024	0.0047	0.0013
Entamoeba histolytica	hypothetical protein	0.0036	0.012	0.0087
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0079	0.0079
Brugia malayi	Transient-receptor-potential like protein	0.0037	0.0123	0.0123
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0047	0.0126
Brugia malayi	biogenic amine synthesis related protein 1	0.0196	0.1061	0.1061
Loa Loa (eye worm)	hypothetical protein	0.0305	0.1702	0.1702
Trypanosoma cruzi	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0196	0.1061	0.1061
Echinococcus multilocularis	short transient receptor potential channel 6	0.0065	0.0292	0.0292
Plasmodium falciparum	importin beta, putative	0.0029	0.0079	1
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0079	0.0079
Echinococcus granulosus	snurportin 1	0.0314	0.1756	0.1756
Loa Loa (eye worm)	hypothetical protein	0.0196	0.1061	0.1061
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0022	0.0034	0.4239
Brugia malayi	glutamate decarboxylase, 67 kDa isoform	0.0196	0.1061	0.1061
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.0615	0.0615
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0034	0.0034
Echinococcus granulosus	pyridoxal dependent decarboxylase	0.0196	0.1061	0.1061
Schistosoma mansoni	transient receptor potential channel	0.0099	0.0489	0.0489
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0109	0.0109
Entamoeba histolytica	hypothetical protein	0.0036	0.012	0.0087
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0079	0.0079
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0022	0.0034	0.4239
Brugia malayi	Pyridoxal-dependent decarboxylase conserved domain containing protein	0.0196	0.1061	0.1061
Echinococcus granulosus	short transient receptor potential channel 6	0.0065	0.0292	0.0292
Echinococcus multilocularis	transient receptor potential ion channel A	0.0096	0.047	0.047
Echinococcus multilocularis	geminin	0.0171	0.0913	0.0913
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0272	0.0272
Mycobacterium ulcerans	glutamate decarboxylase	0.0196	0.1061	0.5
Echinococcus multilocularis	transient receptor potential gamma protein	0.0099	0.0489	0.0489
Schistosoma mansoni	importin beta-1	0.0029	0.0079	0.0079
Schistosoma mansoni	hypothetical protein	0.0314	0.1756	0.1756
Leishmania major	hypothetical protein, conserved	0.0196	0.1061	0.1061
Brugia malayi	glutamate decarboxylase putative	0.0196	0.1061	0.1061
Trypanosoma cruzi	sphingosine 1-phosphate lyase, putative	0.1712	1	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0034	0.0034
Schistosoma mansoni	phenylalanine decarboxylase	0.0196	0.1061	0.1061
Loa Loa (eye worm)	hypothetical protein	0.005	0.0202	0.0202
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0202	0.0202

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: CHEMBL2289526

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 1804165