TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 430.497 | Formula: C20H18N2O5S2
H donors: 0 H acceptors: 3 LogP: 3.18 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(=NC(=O)c2ccc3c(c2)OCCO3)sc2c1ccc(c2)S(=O)(=O)C
InChi: 1S/C20H18N2O5S2/c1-3-8-22-15-6-5-14(29(2,24)25)12-18(15)28-20(22)21-19(23)13-4-7-16-17(11-13)27-10-9-26-16/h3-7,11-12H,1,8-10H2,2H3/b21-20-
InChiKey: PZNOGQWJMCHWDV-MRCUWXFGSA-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
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1578	0.0947
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.4469	0.3993
Trypanosoma cruzi	DNA polymerase eta, putative	0.0109	1	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0058	0.3776	1
Trypanosoma brucei	unspecified product	0.0058	0.3776	0.3311
Trichomonas vaginalis	rotamase, putative	0.0034	0.0793	0.0314
Trypanosoma brucei	DNA polymerase IV, putative	0.0058	0.3776	0.3311
Trichomonas vaginalis	DNA polymerase eta, putative	0.0058	0.3776	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0058	0.3776	1
Toxoplasma gondii	peptidylprolyl isomerase	0.0033	0.0696	0.1107
Trypanosoma cruzi	DNA polymerase eta, putative	0.0069	0.5115	0.4749
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0079	0.6293	1
Trypanosoma brucei	unspecified product	0.004	0.1578	0.0947
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.4469	0.3993
Giardia lamblia	DINP protein human, muc B family	0.0058	0.3776	0.5
Brugia malayi	Probable ClpP-like protease	0.0079	0.6293	0.5974
Echinococcus granulosus	tar DNA binding protein	0.0064	0.4469	0.3993
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0079	0.6293	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0052	0.2985	0.4744
Echinococcus granulosus	peptidase Clp S14 family	0.0052	0.2985	0.2381
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0079	0.6293	1
Loa Loa (eye worm)	hypothetical protein	0.0109	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0052	0.2985	0.2381
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0079	0.6293	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1578	0.0947
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.4469	0.3993
Brugia malayi	ImpB/MucB/SamB family protein	0.0058	0.3776	0.324
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0058	0.3776	0.324
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.4469	0.3993
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.1578	0.0947
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0058	0.3776	0.324
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0079	0.6293	0.5
Echinococcus granulosus	dna polymerase kappa	0.0058	0.3776	0.324
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.4469	0.3993
Brugia malayi	TAR-binding protein	0.0064	0.4469	0.3993
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0079	0.6293	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0058	0.3776	0.324
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0058	0.3776	0.324
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Schistosoma mansoni	peptidase Clp (S14 family)	0.0079	0.6293	0.5974
Trypanosoma brucei	unspecified product	0.004	0.1578	0.0947
Leishmania major	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0793	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0079	0.6293	0.5974
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.4469	0.3993
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0069	0.5115	0.8127
Loa Loa (eye worm)	RNA binding protein	0.0064	0.4469	0.3993
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0079	0.6293	1
Echinococcus multilocularis	dna polymerase kappa	0.0058	0.3776	0.324
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0079	0.6293	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0058	0.3776	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0109	1	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0079	0.6293	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0058	0.3776	0.324
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.4469	0.3993
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Echinococcus granulosus	dna polymerase eta	0.0109	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.4469	0.3993
Trypanosoma brucei	DNA polymerase IV, putative	0.0058	0.3776	0.3311
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0079	0.6293	0.5974
Leishmania major	DNA polymerase eta, putative	0.0069	0.5115	0.4749
Leishmania major	DNA polymerase eta, putative	0.0109	1	1
Schistosoma mansoni	DNA polymerase eta	0.0109	1	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0058	0.3776	0.3311
Echinococcus multilocularis	dna polymerase eta	0.0109	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.3776	0.3311
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0058	0.3776	1
Brugia malayi	RNA binding protein	0.0064	0.4469	0.3993
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0079	0.6293	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0079	0.6293	0.5
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0079	0.6293	0.5974
Trypanosoma brucei	DNA polymerase IV, putative	0.0058	0.3776	0.3311
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.4469	0.3993
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.3776	0.3311

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 612869