TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 436.547 | Formula: C23H20N2O3S2
H donors: 0 H acceptors: 3 LogP: 4.45 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(c1ccccc1)c1ccccc1)N=c1sc2c(n1C)ccc(c2)S(=O)(=O)C
InChi: 1S/C23H20N2O3S2/c1-25-19-14-13-18(30(2,27)28)15-20(19)29-23(25)24-22(26)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3/b24-23-
InChiKey: XAOYHTRKXBIBCO-VHXPQNKSSA-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
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0053	0.0264	0.0187
Schistosoma mansoni	tar DNA-binding protein	0.0328	0.292	1
Loa Loa (eye worm)	RNA binding protein	0.0328	0.292	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.011	0.0816	0.2796
Entamoeba histolytica	hypothetical protein	0.0113	0.0846	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.047	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.047	0.1376
Onchocerca volvulus		0.0074	0.047	0.3759
Mycobacterium tuberculosis	Conserved protein	0.0074	0.047	0.108
Mycobacterium tuberculosis	Conserved protein	0.0074	0.047	0.108
Loa Loa (eye worm)	hypothetical protein	0.0074	0.047	0.1609
Brugia malayi	intermediate filament protein	0.011	0.0816	0.2796
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.047	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.047	0.5
Brugia malayi	beta-lactamase	0.0074	0.047	0.1609
Echinococcus multilocularis	musashi	0.011	0.0816	0.0743
Trypanosoma cruzi	PAB1-binding protein , putative	0.0126	0.0965	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.047	1
Mycobacterium ulcerans	lipase LipD	0.0074	0.047	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0797	0.273
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.047	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.047	0.0394
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0059	0.0321	0.11
Echinococcus granulosus	tar DNA binding protein	0.0328	0.292	0.2863
Plasmodium falciparum	ataxin-2 like protein, putative	0.0126	0.0965	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0264	0.0906
Echinococcus multilocularis	lamin dm0	0.011	0.0816	0.0743
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0056	0.0295	0.0217
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.047	0.108
Loa Loa (eye worm)	hypothetical protein	0.0074	0.047	0.1609
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0079	0.027
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0079	0.027
Loa Loa (eye worm)	hypothetical protein	0.0074	0.047	0.1609
Leishmania major	hypothetical protein, conserved	0.0126	0.0965	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.047	0.1609
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0113	0.0846	0.0773
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.047	0.108
Schistosoma mansoni	cellular tumor antigen P53	0.0155	0.125	0.4122
Trichomonas vaginalis	esterase, putative	0.0074	0.047	0.5
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0053	0.0264	0.0187
Echinococcus multilocularis	tumor protein p63	0.106	1	1
Brugia malayi	beta-lactamase family protein	0.0074	0.047	0.1609
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.047	0.108
Schistosoma mansoni	lamin	0.011	0.0816	0.2596
Onchocerca volvulus		0.0155	0.125	1
Schistosoma mansoni	transcription factor LCR-F1	0.0113	0.0846	0.2699
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0108	0.0791	0.2708
Loa Loa (eye worm)	hypothetical protein	0.0074	0.047	0.1609
Brugia malayi	hypothetical protein	0.0113	0.0846	0.2896
Echinococcus multilocularis	lamin	0.011	0.0816	0.0743
Mycobacterium tuberculosis	Conserved protein	0.0074	0.047	0.108
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0245	0.0839
Schistosoma mansoni	hypothetical protein	0.0074	0.0461	0.1346
Schistosoma mansoni	hypothetical protein	0.0056	0.0295	0.0759
Entamoeba histolytica	hypothetical protein	0.0113	0.0846	1
Schistosoma mansoni	tar DNA-binding protein	0.0328	0.292	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0791	0.2708
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0476	0.4352	1
Mycobacterium ulcerans	beta-lactamase	0.0074	0.047	1
Brugia malayi	RNA binding protein	0.0328	0.292	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.0816	0.2796
Mycobacterium ulcerans	hypothetical protein	0.0074	0.047	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.047	0.5
Echinococcus granulosus	lamin	0.011	0.0816	0.0743
Schistosoma mansoni	lamin	0.011	0.0816	0.2596
Brugia malayi	hypothetical protein	0.0126	0.0965	0.3305
Plasmodium vivax	ataxin-2 like protein, putative	0.0126	0.0965	1
Schistosoma mansoni	intermediate filament proteins	0.011	0.0816	0.2596
Loa Loa (eye worm)	hypothetical protein	0.0074	0.047	0.1609
Loa Loa (eye worm)	hypothetical protein	0.0155	0.125	0.4281
Brugia malayi	RNA recognition motif domain containing protein	0.0328	0.292	1
Onchocerca volvulus		0.0074	0.047	0.3759
Trypanosoma brucei	PAB1-binding protein , putative	0.0126	0.0965	1
Schistosoma mansoni	tar DNA-binding protein	0.0328	0.292	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0253	0.2199	0.7533
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.047	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0113	0.0846	0.0773
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.047	0.108
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.047	1
Brugia malayi	Intermediate filament tail domain containing protein	0.011	0.0816	0.2796
Leishmania major	hypothetical protein, conserved	0.0074	0.047	0.4869
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.047	0.1376
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0056	0.0295	0.0217
Mycobacterium leprae	Probable lipase LipE	0.0074	0.047	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0328	0.292	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0108	0.0791	0.2708
Onchocerca volvulus		0.011	0.0816	0.6533
Brugia malayi	hypothetical protein	0.0081	0.0534	0.183
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.047	0.108
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.047	0.0394
Plasmodium falciparum	ataxin-2 like protein, putative	0.0126	0.0965	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0245	0.0839
Loa Loa (eye worm)	intermediate filament protein	0.011	0.0816	0.2796
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0079	0.027
Entamoeba histolytica	hypothetical protein	0.0113	0.0846	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0253	0.2199	0.7533
Loa Loa (eye worm)	TAR-binding protein	0.0328	0.292	1
Entamoeba histolytica	hypothetical protein	0.0113	0.0846	1
Echinococcus granulosus	intermediate filament protein	0.011	0.0816	0.0743
Schistosoma mansoni	tar DNA-binding protein	0.0328	0.292	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0059	0.0321	0.11
Toxoplasma gondii	LsmAD domain-containing protein	0.0126	0.0965	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.047	0.108
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0965	0.3305
Schistosoma mansoni	hypothetical protein	0.0113	0.0846	0.2699
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0108	0.0791	0.2708
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.047	0.1609
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.047	0.1609
Loa Loa (eye worm)	beta-lactamase	0.0074	0.047	0.1609
Onchocerca volvulus		0.011	0.0816	0.6533
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0461	0.158
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.0461	0.158
Onchocerca volvulus		0.0074	0.047	0.3759
Brugia malayi	TAR-binding protein	0.0328	0.292	1
Schistosoma mansoni	tar DNA-binding protein	0.0328	0.292	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0126	0.0965	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0079	0.027
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.047	0.108
Echinococcus granulosus	lamin dm0	0.011	0.0816	0.0743
Brugia malayi	beta-lactamase family protein	0.0074	0.047	0.1609
Echinococcus multilocularis	tar DNA binding protein	0.0328	0.292	0.2863
Brugia malayi	MH2 domain containing protein	0.0253	0.2199	0.7533

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 621524