TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 270.411 | Formula: C14H24NO2S+
H donors: 0 H acceptors: 2 LogP: 1.87 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)CS(=O)(=O)CCC[N+](C)(C)C
InChi: 1S/C14H24NO2S/c1-13-6-8-14(9-7-13)12-18(16,17)11-5-10-15(2,3)4/h6-9H,5,10-12H2,1-4H3/q+1
InChiKey: UDFBZKGQLJIOBL-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0791	0.5
Schistosoma mansoni	bromodomain containing protein	0.0074	0.0603	0.0766
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0042	0.0259	0.0238
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0791	0.5
Schistosoma mansoni	methyl-cpg binding protein mbd	0.002	0.0022	0.0028
Trypanosoma brucei	N-myristoyltransferase	0.0754	0.7873	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0791	1
Trypanosoma cruzi	N-myristoyl transferase, putative	0.0754	0.7873	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0092	0.0791	0.1004
Loa Loa (eye worm)	PHD-finger family protein	0.0024	0.0067	0.0057
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0754	0.7873	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0022	0.0028
Leishmania major	N-myristoyl transferase, putative	0.0754	0.7873	1
Schistosoma mansoni	hypothetical protein	0.0024	0.0067	0.0085
Schistosoma mansoni	zinc finger protein	0.0023	0.0054	0.0068
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0091	0.0069
Brugia malayi	Bromodomain containing protein	0.0088	0.075	0.0812
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.003	0.001
Loa Loa (eye worm)	MH2 domain-containing protein	0.014	0.1308	0.1638
Schistosoma mansoni	methyl-cpg binding protein mbd	0.002	0.0022	0.0028
Trypanosoma cruzi	N-myristoyl transferase, putative	0.0754	0.7873	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.006	0.0452	0.4744
Echinococcus multilocularis	peptidase Clp (S14 family)	0.006	0.0452	0.0431
Brugia malayi	Muscleblind-like protein	0.0176	0.1685	0.2018
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0091	0.0088
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0791	0.0834
Plasmodium falciparum	glycylpeptide N-tetradecanoyltransferase	0.0754	0.7873	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0092	0.0791	1
Brugia malayi	Bromodomain containing protein	0.0045	0.0289	0.0217
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0022	0.0028
Echinococcus multilocularis	muscleblind protein 1	0.0176	0.1685	0.1667
Brugia malayi	MH2 domain containing protein	0.014	0.1308	0.1532
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0791	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0697	0.0859
Echinococcus multilocularis	muscleblind protein	0.0176	0.1685	0.1667
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0092	0.0791	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.006	0.0452	0.5
Echinococcus multilocularis	glycylpeptide N tetradecanoyltransferase	0.0754	0.7873	0.7869
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0092	0.0791	0.0834
Loa Loa (eye worm)	hypothetical protein	0.0176	0.1685	0.2118
Echinococcus granulosus	muscleblind protein	0.0176	0.1685	0.2118
Loa Loa (eye worm)	hypothetical protein	0.005	0.0344	0.041
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0092	0.0791	0.077
Echinococcus granulosus	glycylpeptide N tetradecanoyltransferase	0.0754	0.7873	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.032	0.0379
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0092	0.0791	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0045	0.029	0.0341
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.006	0.0452	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0042	0.0259	0.0302
Giardia lamblia	CDC72	0.0754	0.7873	0.5
Loa Loa (eye worm)	N-myristoyltransferase 2	0.0754	0.7873	1
Echinococcus granulosus	zinc finger protein	0.0023	0.0054	0.004
Schistosoma mansoni	N-myristoyltransferase	0.0754	0.7873	1
Echinococcus granulosus	peptidase Clp S14 family	0.006	0.0452	0.0548
Entamoeba histolytica	glycylpeptide N-tetradecanoyltransferase, putative	0.0754	0.7873	0.5
Plasmodium vivax	glycylpeptide N-tetradecanoyltransferase, putative	0.0754	0.7873	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.1685	0.2118
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0791	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.007	0.0558	0.0683
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0791	0.5
Brugia malayi	N-myristoyltransferase 2	0.0754	0.7873	1
Echinococcus multilocularis	zinc finger protein	0.0023	0.0054	0.0032
Brugia malayi	Probable ClpP-like protease	0.0092	0.0791	0.0864
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0091	0.0116
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0092	0.0791	0.5
Trypanosoma brucei	N-myristoyl transferase, putative	0.0754	0.7873	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0092	0.0791	1
Loa Loa (eye worm)	transcription factor SMAD2	0.014	0.1308	0.1638
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.007	0.0558	0.0537

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: CHEMBL3140300

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 1862765