TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.477 | Formula: C18H18N2O3S2
H donors: 0 H acceptors: 3 LogP: 3.05 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N=c1sc2c(n1C)ccc(c2)S(=O)(=O)C)CCc1ccccc1
InChi: 1S/C18H18N2O3S2/c1-20-15-10-9-14(25(2,22)23)12-16(15)24-18(20)19-17(21)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3/b19-18-
InChiKey: UUYUYOFRLBLICP-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	0.0128	0.0945	0.3367
Brugia malayi	TAR-binding protein	0.0326	0.2806	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0463	0.5
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0076	0.0463	0.1072
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0115	0.0823	0.063
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0772	0.2751
Mycobacterium tuberculosis	Probable lipase LipE	0.0076	0.0463	0.1072
Brugia malayi	beta-lactamase	0.0076	0.0463	0.1652
Brugia malayi	hypothetical protein	0.0082	0.052	0.1854
Toxoplasma gondii	LsmAD domain-containing protein	0.0128	0.0945	1
Mycobacterium leprae	conserved hypothetical protein	0.0076	0.0463	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0463	0.1652
Mycobacterium tuberculosis	Probable hydrolase	0.0076	0.0463	0.1072
Leishmania major	hypothetical protein, conserved	0.0128	0.0945	1
Onchocerca volvulus		0.0111	0.0791	0.6339
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0463	0.1652
Schistosoma mansoni	tar DNA-binding protein	0.0326	0.2806	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0076	0.0463	0.1072
Loa Loa (eye worm)	transcription factor SMAD2	0.0257	0.2158	0.7693
Echinococcus granulosus	lamin dm0	0.0111	0.0791	0.0598
Brugia malayi	Intermediate filament tail domain containing protein	0.0111	0.0791	0.2819
Brugia malayi	beta-lactamase family protein	0.0076	0.0463	0.1652
Brugia malayi	hypothetical protein	0.0115	0.0823	0.2932
Brugia malayi	MH2 domain containing protein	0.0257	0.2158	0.7693
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0463	0.1652
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0054	0.0251	0.0046
Loa Loa (eye worm)	TAR-binding protein	0.0326	0.2806	1
Schistosoma mansoni	transcription factor LCR-F1	0.0115	0.0823	0.2374
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0076	0.0463	0.1652
Plasmodium falciparum	ataxin-2 like protein, putative	0.0128	0.0945	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0326	0.2806	1
Entamoeba histolytica	hypothetical protein	0.0115	0.0823	1
Onchocerca volvulus		0.0111	0.0791	0.6339
Trypanosoma cruzi	PAB1-binding protein , putative	0.0128	0.0945	1
Onchocerca volvulus		0.0076	0.0463	0.3715
Trypanosoma brucei	PAB1-binding protein , putative	0.0128	0.0945	1
Echinococcus multilocularis	tar DNA binding protein	0.0326	0.2806	0.2655
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0488	0.4325	1
Brugia malayi	cytoplasmic intermediate filament protein	0.006	0.0306	0.1091
Brugia malayi	beta-lactamase family protein	0.0076	0.0463	0.1652
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0232	0.0826
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0463	0.1652
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.006	0.0306	0.1091
Brugia malayi	intermediate filament protein	0.0111	0.0791	0.2819
Trypanosoma cruzi	PAB1-binding protein , putative	0.0128	0.0945	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0463	0.1652
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0463	0.5
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0054	0.0251	0.0046
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0463	0.1072
Entamoeba histolytica	hypothetical protein	0.0115	0.0823	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0128	0.0945	1
Brugia malayi	RNA recognition motif domain containing protein	0.0326	0.2806	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0057	0.0284	0.008
Brugia malayi	hypothetical protein	0.0128	0.0945	0.3367
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0057	0.0284	0.008
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0115	0.0823	0.063
Schistosoma mansoni	hypothetical protein	0.0106	0.0738	0.2046
Mycobacterium leprae	Probable lipase LipE	0.0076	0.0463	1
Loa Loa (eye worm)	intermediate filament protein	0.0111	0.0791	0.2819
Schistosoma mansoni	lamin	0.0111	0.0791	0.2251
Schistosoma mansoni	hypothetical protein	0.0115	0.0823	0.2374
Echinococcus granulosus	beta LACTamase domain containing family member	0.0076	0.0463	0.0263
Mycobacterium ulcerans	beta-lactamase	0.0076	0.0463	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0076	0.0463	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0154	0.1196	0.4263
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0205	0.0732
Echinococcus multilocularis	tumor protein p63	0.1092	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0205	0.0732
Brugia malayi	latrophilin 2 splice variant baaae	0.0106	0.0738	0.2629
Loa Loa (eye worm)	RNA binding protein	0.0326	0.2806	1
Schistosoma mansoni	intermediate filament proteins	0.0111	0.0791	0.2251
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0463	0.0992
Onchocerca volvulus		0.0076	0.0463	0.3715
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0076	0.0463	0.0263
Mycobacterium ulcerans	hypothetical protein	0.0076	0.0463	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0463	0.0992
Schistosoma mansoni	hypothetical protein	0.0057	0.0284	0.0303
Echinococcus multilocularis	musashi	0.0111	0.0791	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0791	0.2819
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0463	0.1072
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0076	0.0463	0.1072
Schistosoma mansoni	tar DNA-binding protein	0.0326	0.2806	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0076	0.0463	0.1072
Loa Loa (eye worm)	hypothetical protein	0.016	0.1248	0.4447
Onchocerca volvulus		0.0076	0.0463	0.3715
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0463	0.1652
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0076	0.0463	1
Loa Loa (eye worm)	beta-lactamase	0.0076	0.0463	0.1652
Plasmodium falciparum	ataxin-2 like protein, putative	0.0128	0.0945	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0154	0.1196	0.4263
Schistosoma mansoni	lamin	0.0111	0.0791	0.2251
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0463	0.5
Mycobacterium ulcerans	lipase LipD	0.0076	0.0463	1
Onchocerca volvulus		0.016	0.1248	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0076	0.0463	0.1652
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0205	0.0732
Echinococcus granulosus	lamin	0.0111	0.0791	0.0598
Schistosoma mansoni	tar DNA-binding protein	0.0326	0.2806	1
Echinococcus granulosus	tar DNA binding protein	0.0326	0.2806	0.2655
Entamoeba histolytica	hypothetical protein	0.0115	0.0823	1
Leishmania major	hypothetical protein, conserved	0.0076	0.0463	0.4905
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0463	0.1072
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0463	0.5
Echinococcus multilocularis	lamin	0.0111	0.0791	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0738	0.2629
Brugia malayi	RNA binding protein	0.0326	0.2806	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0154	0.1196	0.4263
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1196	0.4263
Schistosoma mansoni	cellular tumor antigen P53	0.016	0.1248	0.4008
Schistosoma mansoni	tar DNA-binding protein	0.0326	0.2806	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0205	0.0732
Mycobacterium tuberculosis	Probable esterase LipL	0.0076	0.0463	0.1072
Trichomonas vaginalis	esterase, putative	0.0076	0.0463	0.5
Echinococcus granulosus	intermediate filament protein	0.0111	0.0791	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0251	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0232	0.0826
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0111	0.0791	0.2819
Loa Loa (eye worm)	MH2 domain-containing protein	0.0257	0.2158	0.7693
Echinococcus multilocularis	lamin dm0	0.0111	0.0791	0.0598
Schistosoma mansoni	tar DNA-binding protein	0.0326	0.2806	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0463	0.5
Entamoeba histolytica	hypothetical protein	0.0115	0.0823	1

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 621522