TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 366.434 | Formula: C20H18N2O3S
H donors: 0 H acceptors: 1 LogP: 4 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: C#CCn1c(=NC(=O)c2ccc(c(c2)OC)OC)sc2c1ccc(c2)C
InChi: 1S/C20H18N2O3S/c1-5-10-22-15-8-6-13(2)11-18(15)26-20(22)21-19(23)14-7-9-16(24-3)17(12-14)25-4/h1,6-9,11-12H,10H2,2-4H3/b21-20-
InChiKey: DCHSAJDPIIREBF-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
Echinococcus multilocularis	dna polymerase kappa	0.0061	0.2082	0.2032
Echinococcus multilocularis	geminin	0.0164	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0623	0.0997
Loa Loa (eye worm)	hypothetical protein	0.0115	0.6242	1
Schistosoma mansoni	hypothetical protein	0.0164	1	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0061	0.2082	0.3267
Echinococcus granulosus	tar DNA binding protein	0.0066	0.2469	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2493	0.3932
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.3662	1
Trichomonas vaginalis	rotamase, putative	0.0035	0.0063	0.0304
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0063	0.0304
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.4859	0.7762
Schistosoma mansoni	DNA polymerase eta	0.0115	0.6242	0.6218
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2469	0.2421
Brugia malayi	RNA binding protein	0.0066	0.2469	0.3893
Trypanosoma brucei	unspecified product	0.0042	0.0623	0.0997
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0053	0.1498	0.1444
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Loa Loa (eye worm)	hypothetical protein	0.0097	0.4859	0.7762
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2469	0.2421
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.3662	0.5
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0081	0.3662	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0081	0.3662	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0073	0.2999	0.4805
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.3662	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0061	0.2082	0.2032
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0061	0.2082	0.2032
Trypanosoma brucei	DNA polymerase IV, putative	0.0061	0.2082	0.3335
Trypanosoma brucei	unspecified product	0.0061	0.2082	0.3335
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0081	0.3662	0.3622
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0081	0.3662	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0081	0.3662	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0623	0.0997
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0081	0.3662	0.5
Schistosoma mansoni	hypothetical protein	0.0164	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Trypanosoma brucei	DNA polymerase eta, putative	0.0115	0.6242	1
Schistosoma mansoni	hypothetical protein	0.0066	0.2493	0.2445
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0623	0.0997
Trichomonas vaginalis	DNA polymerase eta, putative	0.0061	0.2082	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0081	0.3662	0.3622
Echinococcus granulosus	peptidase Clp S14 family	0.0053	0.1498	0.1444
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2469	0.2421
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0061	0.2082	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Leishmania major	DNA polymerase eta, putative	0.0073	0.2999	0.4805
Brugia malayi	ImpB/MucB/SamB family protein	0.0061	0.2082	0.3267
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.3662	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0061	0.2082	0.3335
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0081	0.3662	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0115	0.6242	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0061	0.2082	0.2032
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0061	0.2082	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0061	0.2082	0.2032
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0061	0.2082	1
Leishmania major	DNA polymerase eta, putative	0.0115	0.6242	1
Echinococcus multilocularis	dna polymerase eta	0.0115	0.6242	0.6218
Loa Loa (eye worm)	RNA binding protein	0.0066	0.2469	0.3893
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Brugia malayi	Probable ClpP-like protease	0.0081	0.3662	0.5825
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.2493	0.3932
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0073	0.2999	0.819
Echinococcus granulosus	dna polymerase eta	0.0115	0.6242	0.6218
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2469	0.2421
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.2469	0.3893
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0061	0.2082	0.3335
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0061	0.2082	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0081	0.3662	0.3622
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.4859	0.7762
Trypanosoma brucei	DNA polymerase IV, putative	0.0061	0.2082	0.3335
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2469	0.2421
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.2469	0.2421
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.2469	0.3893
Trypanosoma cruzi	DNA polymerase eta, putative	0.0115	0.6242	1
Trypanosoma brucei	unspecified product	0.0042	0.0623	0.0997
Leishmania major	DNA polymerase kappa, putative	0.0061	0.2082	0.3335
Echinococcus granulosus	dna polymerase kappa	0.0061	0.2082	0.2032
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0081	0.3662	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.4859	0.7762
Loa Loa (eye worm)	hypothetical protein	0.0081	0.3662	0.5825
Brugia malayi	TAR-binding protein	0.0066	0.2469	0.3893
Giardia lamblia	DINP protein human, muc B family	0.0061	0.2082	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.2469	0.3893
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.2082	0.3335

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 612834