TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 279.399 | Formula: C9H13NO3S3
H donors: 0 H acceptors: 3 LogP: 2.22 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CSCCSc1cccc(n1)OS(=O)(=O)C
InChi: 1S/C9H13NO3S3/c1-14-6-7-15-9-5-3-4-8(10-9)13-16(2,11)12/h3-5H,6-7H2,1-2H3
InChiKey: GJEFHCFGFFMECR-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
Leishmania major	sphingosine 1-phosphate lyase	0.1594	1	1
Echinococcus multilocularis		0.007	0.0308	0.0308
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0071	0.0315	1
Schistosoma mansoni	transient receptor potential channel	0.0097	0.0481	0.0481
Entamoeba histolytica	s phingosine-1-phosphate lyase 1, putative	0.1594	1	1
Trypanosoma brucei	sphingosine 1-phosphate lyase, putative	0.1594	1	1
Echinococcus granulosus	pyridoxal dependent decarboxylase	0.0182	0.1025	0.1025
Schistosoma mansoni	phenylalanine decarboxylase	0.0182	0.1025	0.1025
Trypanosoma brucei	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0182	0.1025	0.1025
Echinococcus granulosus	aromatic amino acid decarboxylase	0.0182	0.1025	0.1025
Brugia malayi	RNA, U transporter 1	0.0082	0.0386	0.0386
Echinococcus granulosus	transient receptor potential gamma protein	0.0097	0.0481	0.0481
Mycobacterium tuberculosis	Probable glutamate decarboxylase GadB	0.0182	0.1025	0.5
Loa Loa (eye worm)	TDC-1 protein	0.0182	0.1025	0.1025
Entamoeba histolytica	protein kinase, putative	0.0104	0.0527	0.0527
Echinococcus granulosus	TRP transient receptor potential channel	0.0036	0.0094	0.0094
Plasmodium falciparum	importin beta, putative	0.0029	0.0048	0.1535
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0048	0.1535
Schistosoma mansoni	hypothetical protein	0.0307	0.1819	0.1819
Brugia malayi	glutamate decarboxylase, 67 kDa isoform	0.0182	0.1025	0.1025
Echinococcus multilocularis	sphingosine 1 phosphate lyase 1	0.1594	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.1594	1	1
Trypanosoma cruzi	sphingosine 1-phosphate lyase, putative	0.1594	1	1
Trypanosoma cruzi	sphingosine 1-phosphate lyase, putative	0.1594	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0104	0.0527	0.0527
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0071	0.0315	0.0315
Schistosoma mansoni	serine/threonine protein kinase	0.0071	0.0315	0.0315
Schistosoma mansoni	transient receptor potential channel	0.0064	0.0273	0.0273
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0104	0.0527	0.0527
Schistosoma mansoni	phenylalanine decarboxylase	0.0182	0.1025	0.1025
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0071	0.0315	0.0315
Echinococcus granulosus	dual specificity	0.0104	0.0527	0.0527
Brugia malayi	Importin beta-1 subunit	0.0029	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0252	0.0252
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0014	0.0134
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0071	0.0315	0.0315
Echinococcus multilocularis	dual specificity	0.0104	0.0527	0.0527
Brugia malayi	biogenic amine synthesis related protein 1	0.0182	0.1025	0.1025
Echinococcus granulosus	transient receptor potential ion channel A	0.0094	0.0461	0.0461
Leishmania major	hypothetical protein, conserved	0.0182	0.1025	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0103	0.052	0.052
Plasmodium vivax	serine/threonine kinase-1, putative	0.0071	0.0315	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0048	0.0048
Echinococcus granulosus	sphingosine 1 phosphate lyase 1	0.1594	1	1
Loa Loa (eye worm)	aromatic L-amino acid decarboxylase	0.0182	0.1025	0.1025
Echinococcus multilocularis	transient receptor potential gamma protein	0.0097	0.0481	0.0481
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0014	0.0134
Echinococcus granulosus	dual specificity protein kinase clk2	0.0071	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1025	0.1025
Schistosoma mansoni	transient receptor potential channel	0.0064	0.0273	0.0273
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0036	0.0094	0.0094
Echinococcus multilocularis	snurportin 1	0.0307	0.1819	0.1819
Echinococcus multilocularis	short transient receptor potential channel 6	0.0064	0.0273	0.0273
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0071	0.0315	0.0315
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0048	0.0048
Mycobacterium ulcerans	glutamate decarboxylase	0.0182	0.1025	0.5
Schistosoma mansoni	phenylalanine decarboxylase	0.0182	0.1025	0.1025
Plasmodium falciparum	protein serine/threonine kinase-1	0.0071	0.0315	1
Loa Loa (eye worm)	sphingosine-1-phosphate lyase 1	0.0182	0.1025	0.1025
Brugia malayi	Protein kinase domain containing protein	0.0104	0.0527	0.0527
Mycobacterium ulcerans	glutamate decarboxylase	0.0182	0.1025	0.5
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0071	0.0315	0.0315
Trypanosoma cruzi	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0182	0.1025	0.1025
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0307	0.1819	0.1819
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0104	0.0527	0.0527
Entamoeba histolytica	hypothetical protein	0.0023	0.0014	0.0014
Trypanosoma cruzi	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0182	0.1025	0.1025
Giardia lamblia	Kinase, CMGC CLK	0.0071	0.0315	1
Schistosoma mansoni	serine/threonine protein kinase	0.0071	0.0315	0.0315
Echinococcus granulosus	short transient receptor potential channel 6	0.0064	0.0273	0.0273
Brugia malayi	Protein kinase domain containing protein	0.0071	0.0315	0.0315
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0048	0.0048
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0014	0.0134
Leishmania major	protein kinase, putative	0.0071	0.0315	0.0315
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0071	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0074	0.0074
Entamoeba histolytica	hypothetical protein	0.0104	0.0527	0.0527
Leishmania major	protein kinase, putative	0.0071	0.0315	0.0315
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0048	0.0048
Echinococcus multilocularis	transient receptor potential ion channel A	0.0094	0.0461	0.0461
Brugia malayi	glutamate decarboxylase putative	0.0182	0.1025	0.1025
Schistosoma mansoni	phenylalanine decarboxylase	0.0182	0.1025	0.1025
Brugia malayi	Transient-receptor-potential like protein	0.0036	0.0094	0.0094
Trichomonas vaginalis	group II pyridoxal-5-phosphate decarboxylase, putative	0.0182	0.1025	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0064	0.0273	0.0273
Echinococcus granulosus	snurportin 1	0.0307	0.1819	0.1819
Brugia malayi	Pyridoxal-dependent decarboxylase conserved domain containing protein	0.0182	0.1025	0.1025
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0104	0.0527	0.0527
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0014	0.0014
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0104	0.0527	0.0527
Entamoeba histolytica	protein kinase, putative	0.0104	0.0527	0.0527
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0094	0.0094
Schistosoma mansoni	transient receptor potential channel 4	0.0097	0.0481	0.0481
Entamoeba histolytica	protein kinase domain containing protein	0.0104	0.0527	0.0527
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0481	0.0481
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0104	0.0527	0.0527
Loa Loa (eye worm)	hypothetical protein	0.007	0.0308	0.0308
Echinococcus granulosus	hypothetical protein	0.007	0.0308	0.0308
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0048	0.1535
Trichomonas vaginalis	CMGC family protein kinase	0.0071	0.0315	0.3071
Brugia malayi	Aromatic-L-amino-acid decarboxylase	0.0182	0.1025	0.1025
Echinococcus multilocularis	short transient receptor potential channel 6	0.0064	0.0273	0.0273
Echinococcus multilocularis	aromatic amino acid decarboxylase	0.0182	0.1025	0.1025
Echinococcus multilocularis	pyridoxal dependent decarboxylase	0.0182	0.1025	0.1025
Trypanosoma cruzi	hypothetical protein, conserved	0.0182	0.1025	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0103	0.052	0.052
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0071	0.0315	0.0315
Schistosoma mansoni	sphingosine phosphate lyase	0.1594	1	1
Schistosoma mansoni	importin beta-1	0.0029	0.0048	0.0048
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0071	0.0315	0.0315
Loa Loa (eye worm)	glutamate decarboxylase GAD1	0.0182	0.1025	0.1025

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: CHEMBL2289525

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 1804164