TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 423.384 | Formula: C19H13F4N3O2S
H donors: 2 H acceptors: 3 LogP: 3.91 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1csc(n1)NC(=O)c1ccccc1)Nc1ccc(c(c1)C(F)(F)F)F
InChi: 1S/C19H13F4N3O2S/c20-15-7-6-12(8-14(15)19(21,22)23)24-16(27)9-13-10-29-18(25-13)26-17(28)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,24,27)(H,25,26,28)
InChiKey: PTCBWDXOLAJQFU-UHFFFAOYSA-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
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.2218	0.5368
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0045	0.1518	0.5
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0045	0.1518	0.1518
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.1191	0.2883
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0045	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1191	0.2985
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1518	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1518	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2498	0.6261
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2498	0.6047
Onchocerca volvulus		0.0071	0.3024	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.1518	0.5
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0045	0.1518	0.3804
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0091	0.4131	0.4131
Brugia malayi	hypothetical protein	0.0071	0.3024	0.7319
Giardia lamblia	DINP protein human, muc B family	0.0045	0.1518	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.1518	0.3674
Leishmania major	DNA polymerase kappa, putative	0.0045	0.1518	0.5
Mycobacterium ulcerans	DNA polymerase IV	0.0045	0.1518	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.1518	0.5
Leishmania major	DNA polymerase eta, putative	0.0045	0.1518	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2498	0.2498
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0045	0.1518	0.1518
Schistosoma mansoni	hypothetical protein	0.0074	0.3165	0.3165
Trypanosoma brucei	DNA polymerase IV, putative	0.0045	0.1518	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2498	0.2498
Trypanosoma brucei	DNA polymerase IV, putative	0.0045	0.1518	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.1518	0.5
Schistosoma mansoni	hypothetical protein	0.0194	1	1
Trypanosoma brucei	unspecified product	0.0045	0.1518	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0045	0.1518	0.5
Trichomonas vaginalis	DNA polymerase eta, putative	0.0045	0.1518	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0045	0.1518	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.2218	0.5558
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1518	0.3804
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2498	0.2498
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2498	0.6261
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2498	0.2498
Echinococcus granulosus	dna polymerase kappa	0.0045	0.1518	0.1518
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1518	1
Echinococcus multilocularis	dna polymerase kappa	0.0045	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0057	0.2218	0.5558
Schistosoma mansoni	jun-related protein	0.0074	0.3165	0.3165
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2498	0.2498
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1518	1
Brugia malayi	RNA binding protein	0.0062	0.2498	0.6047
Brugia malayi	bZIP transcription factor family protein	0.0091	0.4131	1
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2498	0.2498
Mycobacterium ulcerans	DNA polymerase IV	0.0045	0.1518	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1518	1
Echinococcus multilocularis	dna polymerase eta	0.0045	0.1518	0.1518
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0045	0.1518	0.5
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0045	0.1518	0.5
Schistosoma mansoni	hypothetical protein	0.0194	1	1
Echinococcus multilocularis	jun protein	0.0091	0.4131	0.4131
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.1518	0.3674
Schistosoma mansoni	DNA polymerase eta	0.0045	0.1518	0.1518
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0091	0.4131	0.4131
Echinococcus granulosus	dna polymerase eta	0.0045	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0088	0.399	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2498	0.2498
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0045	0.1518	0.1518
Brugia malayi	TAR-binding protein	0.0062	0.2498	0.6047
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.2218	0.5368
Echinococcus granulosus	jun protein	0.0091	0.4131	0.4131
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1518	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0045	0.1518	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1518	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0045	0.1518	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1518	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0045	0.1518	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1518	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0045	0.1518	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2498	0.6261
Echinococcus multilocularis	geminin	0.0194	1	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0045	0.1518	0.5
Schistosoma mansoni	hypothetical protein	0.0039	0.1191	0.1191

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 687806