TDR Targets

Basic information

Technical information

TDR Targets ID: 33615
Name: 2-(benzenesulfinyl)-4-ethylphenol
MW: 246.325 | Formula: C14H14O2S
H donors: 1 H acceptors: 2 LogP: 4.43 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(c(c1)[S+](c1ccccc1)[O-])O
InChi: 1S/C14H14O2S/c1-2-11-8-9-13(15)14(10-11)17(16)12-6-4-3-5-7-12/h3-10,15H,2H2,1H3
InChiKey: QYZYYOOFKXSSQE-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

2-(benzenesulfinyl)-4-ethyl-phenol
4-ethyl-2-(phenylsulfinyl)phenol
4-ethyl-2-phenylsulfinylphenol
4-ethyl-2-phenylsulfinyl-phenol

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
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0143	0.0309	0.48
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.2447	1	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.019	0.0506	0.0458
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0143	0.031	0.4813
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0108	0.0164	0.2223
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0072	0.001	0.0152
Trichomonas vaginalis	PIKK family atypical protein kinase	0.02	0.0548	0.8525
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0072	0.001	0.0152
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0222	0.0643	1
Leishmania major	hypothetical protein, conserved	0.0893	0.3463	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0121	0.0217	0.3272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.021	0.059	0.9179
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0506	0.787
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.019	0.0506	0.7837
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0506	0.787
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.012	0.0215	0.1186
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.019	0.0506	0.1534
Loa Loa (eye worm)	phosphatidylinositol 3	0.019	0.0506	0.787
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0222	0.0643	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0164	0.2553
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0212	0.0601	0.0321
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0128	0.0248	0.3862
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0237	0.0704	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0143	0.0309	0.0936
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0506	0.787
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0108	0.0164	0.0114
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.019	0.0506	0.0458
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0222	0.0643	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0105	0.015	0.2221
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0164	0.2553
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0094	0.0104	0.1493
Entamoeba histolytica	hypothetical protein	0.0121	0.0217	0.3272
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0109	0.0168	0.2613
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0212	0.0601	0.9337
Trichomonas vaginalis	conserved hypothetical protein	0.0081	0.0051	0.0786
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0222	0.0643	1
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0105	0.015	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0202	0.0559	0.8691
Loa Loa (eye worm)	hypothetical protein	0.0105	0.015	0.2339
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0212	0.0601	0.9344
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0108	0.0164	0.2438
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0108	0.0164	0.2223
Entamoeba histolytica	protein kinase rad3, putative	0.0108	0.0164	0.2438
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0109	0.0168	0.2613
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0072	0.001	0.003
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.019	0.0506	0.7837
Trichomonas vaginalis	PIKK family atypical protein kinase	0.02	0.0548	0.8525
Loa Loa (eye worm)	hypothetical protein	0.012	0.0215	0.3338
Trichomonas vaginalis	PIKK family atypical protein kinase	0.021	0.059	0.9179
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0143	0.0309	0.472
Schistosoma mansoni	hypothetical protein	0.0081	0.0051	0.0587
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0222	0.0643	0.195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.02	0.0548	0.8525
Loa Loa (eye worm)	phosphatidylinositol 3	0.0215	0.0613	0.9526
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0108	0.0164	0.2438
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0108	0.0164	0.0498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0222	0.0643	1
Echinococcus multilocularis	serine protein kinase ATM	0.0108	0.0164	0.0114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.021	0.059	0.9179
Trichomonas vaginalis	PIKK family atypical protein kinase	0.02	0.0548	0.8523
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0301	0.4683
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0083	0.0059	0.0773
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0222	0.0643	0.195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0506	0.787
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0164	0.2553
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0143	0.0309	0.472
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0237	0.0704	0.0657
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0222	0.0643	1
Giardia lamblia	GTOR	0.0222	0.0643	1
Brugia malayi	FAT domain containing protein	0.0081	0.0051	0.0644
Loa Loa (eye worm)	phosphatidylinositol 3	0.0222	0.0643	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0222	0.0643	0.0596
Trichomonas vaginalis	PIKK family atypical protein kinase	0.02	0.0548	0.8523
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0237	0.0704	0.0657
Echinococcus granulosus	serine protein kinase ATM	0.0108	0.0164	0.0114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0202	0.0559	0.8691
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0212	0.0601	0.9344
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.0259	0.4027
Trypanosoma cruzi	target of rapamycin kinase 3	0.0212	0.0601	0.1822
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0128	0.0248	0.3862
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0222	0.0643	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.02	0.0548	0.8525
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0108	0.0164	0.2438
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0108	0.0164	0.0498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.021	0.059	0.9179
Trichomonas vaginalis	PIKK family atypical protein kinase	0.021	0.059	0.9179
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.0215	0.3338
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.019	0.0506	0.7837
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0108	0.0164	0.2438
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0222	0.0643	0.0463
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0212	0.0601	0.9344
Toxoplasma gondii	target of rapamycin (TOR), putative	0.021	0.059	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.02	0.0548	0.8523
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0143	0.0309	0.48
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0212	0.0601	0.9344
Trichomonas vaginalis	PIKK family atypical protein kinase	0.021	0.059	0.9179
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0108	0.0164	0.0114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0212	0.0601	0.9344
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0072	0.001	0.0152
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0506	0.787
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0222	0.0643	0.0596
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.019	0.0506	0.7145
Entamoeba histolytica	hypothetical protein	0.0108	0.0164	0.2438
Trichomonas vaginalis	PIKK family atypical protein kinase	0.021	0.059	0.9179
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0143	0.0309	0.0936
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0105	0.015	0.01
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0222	0.0643	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0051	0.0786
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.013	0.0257	0.3902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0164	0.2553
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.019	0.0506	0.1534
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0104	0.0145	0.2128
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0128	0.0248	0.3862
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0143	0.0309	0.48
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0222	0.0643	0.9118
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0222	0.0643	0.0463
Trypanosoma cruzi	hypothetical protein, conserved	0.0854	0.3299	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 36 %	Inhibition of slow reacting substance of anaphylaxis (SRS-A) release from sensitized guinea pig chopped lung upon antigen challenge at 10 ug/mL	ChEMBL.	3612683
Inhibition (functional)	= 36 %	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: CHEMBL286483
PubChem: 12452442

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 33615