TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 406.476 | Formula: C18H18N2O5S2
H donors: 0 H acceptors: 3 LogP: 2.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)C(=O)N=c1sc2c(n1C)ccc(c2)S(=O)(=O)C
InChi: 1S/C18H18N2O5S2/c1-20-13-7-6-12(27(4,22)23)10-16(13)26-18(20)19-17(21)11-5-8-14(24-2)15(9-11)25-3/h5-10H,1-4H3/b19-18-
InChiKey: LSFBWMLRQYXREO-HNENSFHCSA-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
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0202	0.0448
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0045	0.0315	0.0701
Echinococcus granulosus	lamin dm0	0.0084	0.0897	0.0897
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0155	0.0155
Echinococcus multilocularis	lamin dm0	0.0084	0.0897	0.0897
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0202	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0255	0.3434	0.7687
Schistosoma mansoni	lamin	0.0084	0.0897	0.2008
Brugia malayi	TAR-binding protein	0.0325	0.4467	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0155	0.0346
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0202	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0155	0.0341
Leishmania major	hypothetical protein, conserved	0.0054	0.0438	1
Loa Loa (eye worm)	intermediate filament protein	0.0084	0.0897	0.2004
Echinococcus granulosus	intermediate filament protein	0.0084	0.0897	0.0897
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0202	0.0623
Entamoeba histolytica	hypothetical protein	0.0073	0.0728	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0155	0.0155
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0728	0.163
Brugia malayi	hypothetical protein	0.0035	0.0157	0.0346
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0041	0.0248	0.0248
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0202	0.0623
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0155	0.0155
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0202	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0225	0.05
Brugia malayi	hypothetical protein	0.0054	0.0438	0.0977
Brugia malayi	Intermediate filament tail domain containing protein	0.0084	0.0897	0.2004
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0202	0.0623
Trypanosoma brucei	PAB1-binding protein , putative	0.0054	0.0438	1
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0155	0.0341
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0202	0.0623
Echinococcus granulosus	GPCR family 2	0.0034	0.0155	0.0155
Entamoeba histolytica	hypothetical protein	0.0073	0.0728	1
Loa Loa (eye worm)	TAR-binding protein	0.0325	0.4467	1
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0155	0.0155
Loa Loa (eye worm)	RNA binding protein	0.0325	0.4467	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0202	0.0448
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0202	0.5
Echinococcus multilocularis	musashi	0.0084	0.0897	0.0897
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.4467	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0202	1
Schistosoma mansoni	hypothetical protein	0.0074	0.0748	0.1674
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0202	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0202	0.0448
Onchocerca volvulus		0.0084	0.0897	0.7733
Schistosoma mansoni	hypothetical protein	0.0034	0.0155	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1159	0.2592
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0728	0.0728
Schistosoma mansoni	lamin	0.0084	0.0897	0.2008
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0202	0.0623
Leishmania major	hypothetical protein, conserved	0.0038	0.0202	0.4587
Onchocerca volvulus		0.0102	0.1159	1
Brugia malayi	beta-lactamase family protein	0.0038	0.0202	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0748	0.167
Toxoplasma gondii	LsmAD domain-containing protein	0.0054	0.0438	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0897	0.2004
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0202	0.0623
Trypanosoma cruzi	PAB1-binding protein , putative	0.0054	0.0438	1
Trichomonas vaginalis	esterase, putative	0.0038	0.0202	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0109	0.1259	0.2814
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0202	0.0623
Echinococcus multilocularis	lamin	0.0084	0.0897	0.0897
Entamoeba histolytica	hypothetical protein	0.0073	0.0728	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0202	0.5
Brugia malayi	RNA binding protein	0.0325	0.4467	1
Echinococcus multilocularis	tumor protein p63	0.0697	1	1
Brugia malayi	MH2 domain containing protein	0.0255	0.3434	0.7687
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0155	0.0155
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0202	0.0453
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0202	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0202	0.0448
Loa Loa (eye worm)	MH2 domain-containing protein	0.0255	0.3434	0.7687
Brugia malayi	intermediate filament protein	0.0084	0.0897	0.2004
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0202	0.0202
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0155	0.0341
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.4467	1
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0202	1
Brugia malayi	hypothetical protein	0.0073	0.0728	0.1626
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0248	0.0552
Echinococcus granulosus	tar DNA binding protein	0.0325	0.4467	0.4467
Trypanosoma cruzi	PAB1-binding protein , putative	0.0054	0.0438	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0155	0.0341
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0202	0.0623
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0202	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0202	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1259	0.2814
Brugia malayi	beta-lactamase family protein	0.0038	0.0202	0.0448
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0202	0.0623
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0084	0.0897	0.2004
Onchocerca volvulus		0.0038	0.0202	0.173
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0202	0.0623
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0041	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0874	0.1953
Onchocerca volvulus		0.0038	0.0202	0.173
Brugia malayi	cytoplasmic intermediate filament protein	0.0045	0.0315	0.0701
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0202	0.0448
Schistosoma mansoni	hypothetical protein	0.0073	0.0728	0.163
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0109	0.1259	0.2814
Echinococcus granulosus	lamin	0.0084	0.0897	0.0897
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0109	0.1259	0.2814
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0202	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0325	0.4467	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0054	0.0438	1
Onchocerca volvulus		0.0038	0.0202	0.173
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.4467	1
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.4467	1
Mycobacterium ulcerans	lipase LipD	0.0038	0.0202	1
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0202	1
Echinococcus multilocularis	tar DNA binding protein	0.0325	0.4467	0.4467
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.4467	1
Schistosoma mansoni	cellular tumor antigen P53	0.0102	0.1159	0.2595
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0438	0.0977
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.0748	0.167
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0225	0.05
Plasmodium falciparum	ataxin-2 like protein, putative	0.0054	0.0438	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0728	0.0728
Brugia malayi	beta-lactamase	0.0038	0.0202	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0202	0.0448
Entamoeba histolytica	hypothetical protein	0.0073	0.0728	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.024	0.3214	1
Brugia malayi	RNA recognition motif domain containing protein	0.0325	0.4467	1
Onchocerca volvulus		0.0084	0.0897	0.7733
Schistosoma mansoni	hypothetical protein	0.0034	0.0155	0.0346
Schistosoma mansoni	intermediate filament proteins	0.0084	0.0897	0.2008
Schistosoma mansoni	hypothetical protein	0.0034	0.0155	0.0346
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0202	0.0453
Plasmodium falciparum	ataxin-2 like protein, putative	0.0054	0.0438	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0202	0.0448

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 621678