TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 414.455 | Formula: C19H14N2O5S2
H donors: 0 H acceptors: 4 LogP: 2.65 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1coc2c(c1=O)cccc2)N=c1sc2c(n1C)ccc(c2)S(=O)(=O)C
InChi: 1S/C19H14N2O5S2/c1-21-14-8-7-11(28(2,24)25)9-16(14)27-19(21)20-18(23)13-10-26-15-6-4-3-5-12(15)17(13)22/h3-10H,1-2H3/b20-19-
InChiKey: JTPMUXIBFTWGGA-VXPUYCOJSA-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
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0085	0.0912	0.1627
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.1156	0.2061
Schistosoma mansoni	hypothetical protein	0.0032	0.0119	0.0196
Echinococcus multilocularis	tumor protein p63	0.069	1	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0119	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0348
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0119	0.011
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0348
Entamoeba histolytica	hypothetical protein	0.0072	0.0724	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.1156	0.2061
Onchocerca volvulus		0.0085	0.0912	0.7894
Loa Loa (eye worm)	intermediate filament protein	0.0085	0.0912	0.1627
Schistosoma mansoni	hypothetical protein	0.0032	0.0119	0.0196
Brugia malayi	beta-lactamase	0.0037	0.0195	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0464	0.0828
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0195	0.0611
Leishmania major	hypothetical protein, conserved	0.0055	0.0464	1
Brugia malayi	hypothetical protein	0.0035	0.0172	0.0306
Brugia malayi	beta-lactamase family protein	0.0037	0.0195	0.0348
Echinococcus multilocularis	lamin dm0	0.0085	0.0912	0.0904
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0348
Echinococcus granulosus	lamin dm0	0.0085	0.0912	0.0904
Brugia malayi	beta-lactamase family protein	0.0037	0.0195	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0039	0.023	0.041
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0195	0.0186
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0041	0.0254	0.0245
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0398	0.5608	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0254	0.0452
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0195	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0348
Plasmodium vivax	ataxin-2 like protein, putative	0.0055	0.0464	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0247	0.3347	0.5968
Brugia malayi	Intermediate filament tail domain containing protein	0.0085	0.0912	0.1627
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0119	0.011
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0119	0.011
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0119	0.011
Echinococcus granulosus	lamin	0.0085	0.0912	0.0904
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.0464	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0195	0.0611
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0195	0.0611
Trypanosoma brucei	PAB1-binding protein , putative	0.0055	0.0464	1
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0119	0.011
Onchocerca volvulus		0.0037	0.0195	0.1688
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0195	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0237	0.3191	1
Loa Loa (eye worm)	TAR-binding protein	0.0398	0.5608	1
Schistosoma mansoni	intermediate filament proteins	0.0085	0.0912	0.1613
Schistosoma mansoni	tar DNA-binding protein	0.0398	0.5608	1
Onchocerca volvulus		0.0085	0.0912	0.7894
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0889	0.1585
Schistosoma mansoni	hypothetical protein	0.0032	0.0119	0.0196
Schistosoma mansoni	lamin	0.0085	0.0912	0.1613
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0195	0.5
Leishmania major	hypothetical protein, conserved	0.0037	0.0195	0.4201
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0348
Brugia malayi	hypothetical protein	0.0072	0.0724	0.1292
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0676	0.1205
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0195	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0195	0.0611
Loa Loa (eye worm)	RNA binding protein	0.0398	0.5608	1
Schistosoma mansoni	tar DNA-binding protein	0.0398	0.5608	1
Schistosoma mansoni	lamin	0.0085	0.0912	0.1613
Schistosoma mansoni	tar DNA-binding protein	0.0398	0.5608	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0195	0.0348
Mycobacterium ulcerans	lipase LipD	0.0037	0.0195	1
Schistosoma mansoni	cellular tumor antigen P53	0.0101	0.1156	0.2048
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1156	0.2061
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.0464	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0676	0.1205
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0195	0.0332
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0195	0.0611
Echinococcus granulosus	intermediate filament protein	0.0085	0.0912	0.0904
Trichomonas vaginalis	esterase, putative	0.0037	0.0195	0.5
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0195	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0912	0.1627
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0119	0.0212
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0195	0.0611
Brugia malayi	hypothetical protein	0.0055	0.0464	0.0828
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0195	0.0348
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0195	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0195	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0195	0.0186
Echinococcus granulosus	GPCR family 2	0.0032	0.0119	0.011
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0724	0.1277
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0119	0.0212
Echinococcus multilocularis	musashi	0.0085	0.0912	0.0904
Onchocerca volvulus		0.0037	0.0195	0.1688
Brugia malayi	TAR-binding protein	0.0398	0.5608	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0195	0.0611
Echinococcus multilocularis	tar DNA binding protein	0.0398	0.5608	0.5604
Brugia malayi	RNA binding protein	0.0398	0.5608	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0724	0.0716
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0724	0.0716
Brugia malayi	cytoplasmic intermediate filament protein	0.0045	0.0321	0.0573
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0195	0.5
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0041	0.0254	0.0245
Entamoeba histolytica	hypothetical protein	0.0072	0.0724	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0195	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0195	1
Onchocerca volvulus		0.0037	0.0195	0.1688
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0195	0.0348
Schistosoma mansoni	tar DNA-binding protein	0.0398	0.5608	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.023	0.041
Echinococcus multilocularis	lamin	0.0085	0.0912	0.0904
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.0464	0.5
Echinococcus granulosus	tar DNA binding protein	0.0398	0.5608	0.5604
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0195	0.0348
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.1156	0.2061
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0195	0.0611
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0119	0.0212
Entamoeba histolytica	hypothetical protein	0.0072	0.0724	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0119	0.0196
Schistosoma mansoni	hypothetical protein	0.0069	0.0676	0.1191
Onchocerca volvulus		0.0101	0.1156	1
Brugia malayi	intermediate filament protein	0.0085	0.0912	0.1627
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0195	0.0611
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0195	1
Brugia malayi	MH2 domain containing protein	0.0247	0.3347	0.5968
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0195	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0247	0.3347	0.5968
Entamoeba histolytica	hypothetical protein	0.0072	0.0724	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0045	0.0321	0.0573
Schistosoma mansoni	hypothetical protein	0.0072	0.0724	0.1277
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0195	0.0611
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.0464	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0398	0.5608	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1156	0.2061
Brugia malayi	RNA recognition motif domain containing protein	0.0398	0.5608	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0055	0.0464	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

Search by Saint Jude

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 621406