TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 262.324 | Formula: C14H14O3S
H donors: 1 H acceptors: 3 LogP: 3.71 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(c(c1)S(=O)(=O)c1ccccc1)O
InChi: 1S/C14H14O3S/c1-2-11-8-9-13(15)14(10-11)18(16,17)12-6-4-3-5-7-12/h3-10,15H,2H2,1H3
InChiKey: KCOYFZPYHGDHBL-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	Protein kinase domain containing protein	0.4003	0.671	0.7037
Loa Loa (eye worm)	hypothetical protein	0.1102	0.1032	0.1089
Brugia malayi	Trypsin family protein	0.1102	0.1032	0.0945
Schistosoma mansoni	hypothetical protein	0.1102	0.1032	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0834	0.0508	0.0537
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Echinococcus multilocularis	Mastin	0.1191	0.1206	0.1797
Loa Loa (eye worm)	hypothetical protein	0.0789	0.0418	0.0442
Onchocerca volvulus		0.0733	0.031	0.017
Echinococcus multilocularis	transmembrane protease serine 3	0.1102	0.1032	0.1537
Loa Loa (eye worm)	hypothetical protein	0.5414	0.9471	1
Onchocerca volvulus		0.0834	0.0508	0.0383
Echinococcus multilocularis	glycoprotein Antigen 5	0.1191	0.1206	0.1797
Onchocerca volvulus		0.5414	0.9471	1
Plasmodium falciparum	cysteine repeat modular protein 1	0.4003	0.671	0.5
Loa Loa (eye worm)	hypothetical protein	0.5414	0.9471	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.1102	0.1032	0.1537
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.1102	0.1032	0.1537
Loa Loa (eye worm)	PAN domain-containing protein	0.0834	0.0508	0.0537
Loa Loa (eye worm)	PAN domain-containing protein	0.0834	0.0508	0.0537
Onchocerca volvulus		0.0733	0.031	0.017
Onchocerca volvulus		0.0733	0.031	0.017
Brugia malayi	PAN domain containing protein	0.0834	0.0508	0.0383
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0655	0.0157	0.0166
Schistosoma mansoni	hypothetical protein	0.0733	0.031	0.0155
Brugia malayi	PAN domain containing protein	0.0834	0.0508	0.0383
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Onchocerca volvulus		0.1102	0.1032	0.0945
Onchocerca volvulus		0.0834	0.0508	0.0383
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.1102	0.1032	0.1537
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Echinococcus multilocularis	enteropeptidase	0.1191	0.1206	0.1797
Onchocerca volvulus		0.4003	0.671	0.7037
Brugia malayi	PAN domain containing protein	0.0834	0.0508	0.0383
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1102	0.1032	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0834	0.0508	0.0537
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Onchocerca volvulus		0.0834	0.0508	0.0383
Brugia malayi	PAN domain containing protein	0.0834	0.0508	0.0383
Onchocerca volvulus		0.1102	0.1032	0.0945
Onchocerca volvulus		0.0834	0.0508	0.0383
Trypanosoma cruzi	hypothetical protein, conserved	0.4003	0.671	0.5
Loa Loa (eye worm)	hypothetical protein	0.0834	0.0508	0.0537
Brugia malayi	PAN domain containing protein	0.0834	0.0508	0.0383
Echinococcus granulosus	transmembrane protease serine 3	0.1102	0.1032	0.1537
Onchocerca volvulus		0.1102	0.1032	0.0945
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.4003	0.671	0.5
Echinococcus granulosus	glycoprotein Antigen 5	0.1191	0.1206	0.1797
Brugia malayi	PAN domain containing protein	0.0834	0.0508	0.0383
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Toxoplasma gondii	PAN domain-containing protein	0.1422	0.1657	0.1853
Onchocerca volvulus		0.0834	0.0508	0.0383
Loa Loa (eye worm)	PAN domain-containing protein	0.0834	0.0508	0.0537
Brugia malayi	SEA domain containing protein	0.0733	0.031	0.017
Toxoplasma gondii	PAN domain-containing protein	0.1422	0.1657	0.1853
Loa Loa (eye worm)	PAN domain-containing protein	0.0834	0.0508	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0834	0.0508	0.0537
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.1102	0.1032	0.1537
Onchocerca volvulus		0.0834	0.0508	0.0383
Loa Loa (eye worm)	hypothetical protein	0.4003	0.671	0.7085
Loa Loa (eye worm)	trypsin family protein	0.1102	0.1032	0.1089
Onchocerca volvulus		0.0962	0.0759	0.0652
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Brugia malayi	PAN domain containing protein	0.0834	0.0508	0.0383
Brugia malayi	PAN domain containing protein	0.0834	0.0508	0.0383
Brugia malayi	Trypsin family protein	0.1102	0.1032	0.0945
Echinococcus granulosus	tissue type plasminogen activator	0.4003	0.671	1
Echinococcus granulosus	enteropeptidase	0.1191	0.1206	0.1797
Brugia malayi	Trypsin family protein	0.5414	0.9471	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1191	0.1206	0.1065
Loa Loa (eye worm)	TK/ROR protein kinase	0.4003	0.671	0.7085
Schistosoma mansoni	hypothetical protein	0.4003	0.671	0.6658
Loa Loa (eye worm)	hypothetical protein	0.0652	0.0151	0.0159
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1102	0.1032	0.0889
Schistosoma mansoni	hypothetical protein	0.1102	0.1032	0.0889
Leishmania major	hypothetical protein, conserved	0.4003	0.671	0.5
Onchocerca volvulus		0.1102	0.1032	0.0945
Loa Loa (eye worm)	PAN domain-containing protein	0.0834	0.0508	0.0537
Loa Loa (eye worm)	hypothetical protein	0.1102	0.1032	0.1089
Toxoplasma gondii	kringle domain-containing protein	0.4003	0.671	1
Loa Loa (eye worm)	hypothetical protein	0.1102	0.1032	0.1089
Brugia malayi	Muscle positioning protein 4	0.0962	0.0759	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0834	0.0508	0.0537
Echinococcus granulosus	Tolloid protein 1	0.0655	0.0157	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0655	0.0157	0.0166
Echinococcus granulosus	Mastin	0.1191	0.1206	0.1797
Echinococcus multilocularis	tissue type plasminogen activator	0.4003	0.671	1
Loa Loa (eye worm)	DOMON domain-containing protein	0.0733	0.031	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0962	0.0759	0.0801
Loa Loa (eye worm)	hypothetical protein	0.1102	0.1032	0.1089
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Brugia malayi	PAN domain containing protein	0.0834	0.0508	0.0383
Brugia malayi	Trypsin-like protease protein 5	0.1102	0.1032	0.0945
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.1102	0.1032	0.0889
Mycobacterium ulcerans	hypothetical protein	0.1102	0.1032	0.5
Onchocerca volvulus		0.0733	0.031	0.017
Echinococcus multilocularis	Tolloid protein 1	0.0655	0.0157	0.0234
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.5414	0.9471	0.9463
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0652	0.0151	0.0159
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Loa Loa (eye worm)	hypothetical protein	0.1102	0.1032	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0834	0.0508	0.0537
Onchocerca volvulus		0.4312	0.7315	0.7686
Brugia malayi	Trypsin family protein	0.1102	0.1032	0.0945
Onchocerca volvulus		0.0834	0.0508	0.0383
Onchocerca volvulus		0.0834	0.0508	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0834	0.0508	0.0537
Onchocerca volvulus		0.1102	0.1032	0.0945
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1239	0.1299	0.116
Brugia malayi	hypothetical protein	0.1102	0.1032	0.0945
Onchocerca volvulus		0.0834	0.0508	0.0383
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1102	0.1032	0.0889
Brugia malayi	Kringle domain containing protein	0.4003	0.671	0.7037
Onchocerca volvulus		0.0834	0.0508	0.0383
Schistosoma mansoni	cercarial elastase (S01 family)	0.1102	0.1032	0.0889
Onchocerca volvulus		0.0834	0.0508	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0733	0.031	0.0327
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.1102	0.1032	0.0945
Brugia malayi	PAN domain containing protein	0.0834	0.0508	0.0383

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 0 %	Inhibition of slow reacting substance of anaphylaxis(SRS-A) release from sensitized guinea pig chopped lung upon antigen challenge.	ChEMBL.	3612683
Inhibition (functional)	NT 0 %	Inhibition of histamine release from sensitized guinea pig chopped lung, upon antigen challenge at 10 ug/mL.	ChEMBL.	3612683

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: CHEMBL282589

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 33560