TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 317.406 | Formula: C16H19N3O2S
H donors: 0 H acceptors: 3 LogP: 2.42 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ncccc1C(=O)N1CCCCC1c1nccs1
InChi: 1S/C16H19N3O2S/c1-2-21-14-12(6-5-8-17-14)16(20)19-10-4-3-7-13(19)15-18-9-11-22-15/h5-6,8-9,11,13H,2-4,7,10H2,1H3
InChiKey: SLGPEFJFDLCYCT-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
Giardia lamblia	Flap structure-specific endonuclease	0.0028	0.0862	1
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0432	0.0402
Brugia malayi	Flap endonuclease-1	0.0028	0.0862	0.2371
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0031	0.0097
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0921	0.0511
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0432	0.4704
Echinococcus multilocularis	flap endonuclease 1	0.0028	0.0862	0.0833
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0432	0.4704
Schistosoma mansoni	hypothetical protein	0.0181	1	1
Schistosoma mansoni	lamin	0.0029	0.0921	0.0511
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0123	0.0379
Trichomonas vaginalis	flap endonuclease-1, putative	0.0028	0.0862	1
Onchocerca volvulus		0.0029	0.0921	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0432	0.4704
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0432	0.0402
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.3239	0.2934
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0921	0.2842
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0432	0.0402
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0432	0.4704
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0432	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0921	0.2842
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0432	0.0992
Plasmodium falciparum	flap endonuclease 1	0.0028	0.0862	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0432	0.4704
Echinococcus granulosus	dna polymerase eta	0.0021	0.0432	0.0402
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0432	0.1334
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0028	0.0862	1
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0028	0.0862	1
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.3239	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.3239	0.2934
Loa Loa (eye worm)	flap endonuclease-1	0.0028	0.0862	0.266
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.3239	0.2934
Brugia malayi	RNA binding protein	0.0068	0.3239	1
Echinococcus granulosus	lamin dm0	0.0029	0.0921	0.0892
Plasmodium vivax	flap endonuclease 1, putative	0.0028	0.0862	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0432	0.4704
Echinococcus multilocularis	geminin	0.0181	1	1
Loa Loa (eye worm)	RNA binding protein	0.0068	0.3239	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0432	0.4704
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0432	0.4704
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0432	0.5
Echinococcus granulosus	flap endonuclease 1	0.0028	0.0862	0.0833
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0432	0.4704
Trypanosoma brucei	unspecified product	0.0021	0.0432	0.4704
Echinococcus multilocularis	lamin dm0	0.0029	0.0921	0.0892
Echinococcus multilocularis	musashi	0.0029	0.0921	0.0892
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0028	0.0862	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0889	0.2745
Brugia malayi	TAR-binding protein	0.0068	0.3239	1
Entamoeba histolytica	Flap nuclease, putative	0.0028	0.0862	1
Echinococcus granulosus	lamin	0.0029	0.0921	0.0892
Echinococcus granulosus	tar DNA binding protein	0.0068	0.3239	0.3217
Onchocerca volvulus		0.0029	0.0921	0.5
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0028	0.0862	1
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0432	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0432	0.4704
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0432	0.1334
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.3239	0.2934
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0432	0.0992
Schistosoma mansoni	flap endonuclease-1	0.0025	0.0702	0.0282
Brugia malayi	intermediate filament protein	0.0029	0.0921	0.2561
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0921	0.2561
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0432	0.0402
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.3239	1
Schistosoma mansoni	lamin	0.0029	0.0921	0.0511
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.3239	0.2934
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0921	0.2842
Echinococcus granulosus	intermediate filament protein	0.0029	0.0921	0.0892
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0432	0.4704
Echinococcus multilocularis	lamin	0.0029	0.0921	0.0892
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.3239	1
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0432	0.0402
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0432	0.4704
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0432	0.4704
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0432	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0432	0.4704
Schistosoma mansoni	hypothetical protein	0.0181	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.3239	0.3217

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

ChEMBL: CHEMBL3496563

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 2069898