TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 275.373 | Formula: C13H17N5S
H donors: 1 H acceptors: 3 LogP: 0.99 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: C1CC(N(C1)c1cccnn1)CNCc1cscn1
InChi: 1S/C13H17N5S/c1-4-13(17-16-5-1)18-6-2-3-12(18)8-14-7-11-9-19-10-15-11/h1,4-5,9-10,12,14H,2-3,6-8H2
InChiKey: RSPZOKTVGQCLLP-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
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0009	0.1329	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0009	0.1329	0.1329
Schistosoma mansoni	thyroid hormone receptor	0.0009	0.1329	0.1261
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.004	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0009	0.1329	0.1261
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0023	0.5143	0.5104
Loa Loa (eye worm)	hypothetical protein	0.0009	0.1329	0.1329
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0009	0.1329	0.1329
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0009	0.1329	0.1329
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0005	0.0079	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0009	0.1329	0.1329
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0009	0.1329	0.1261
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0009	0.1329	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0079	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0009	0.1329	0.1329
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0009	0.1329	0.1261
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.004	1	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0009	0.1329	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0009	0.1329	0.1329
Onchocerca volvulus		0.0009	0.1329	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0009	0.1329	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0079	0.0079
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0009	0.1329	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0009	0.1329	0.1329
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0023	0.5143	0.5143
Schistosoma mansoni	nuclear hormone receptor	0.0009	0.1329	0.1261
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0009	0.1329	0.1329
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0009	0.1329	0.1329
Schistosoma mansoni	thyroid hormone receptor	0.0009	0.1329	0.1261
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0009	0.1329	0.1329
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0009	0.1329	0.1329
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0009	0.1329	0.1261
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.004	1	1
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.004	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0009	0.1329	0.1261
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0009	0.1329	0.1329
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0009	0.1329	0.1329
Loa Loa (eye worm)	hypothetical protein	0.0009	0.1329	0.1329
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0009	0.1329	0.1261
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0009	0.1329	0.1261
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0009	0.1329	0.1261
Loa Loa (eye worm)	steroid hormone receptor	0.0009	0.1329	0.1329
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0009	0.1329	0.1329
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0023	0.5391	0.5391
Brugia malayi	Steroid receptor seven-up type 2	0.0009	0.1329	0.1261
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0009	0.1329	0.1329
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.004	1	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0009	0.1329	0.1261
Brugia malayi	Nuclear hormone receptor-like 1	0.0009	0.1329	0.1261
Schistosoma mansoni	RAR-like nuclear receptor	0.0009	0.1329	0.1261
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.004	1	1
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0023	0.5391	0.5391
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0079	0.0079
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0023	0.5143	0.5104
Brugia malayi	steroid hormone receptor	0.0009	0.1329	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0009	0.1329	0.1329
Brugia malayi	ecdysteroid receptor	0.0009	0.1329	0.1261
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.004	1	1
Echinococcus multilocularis	transcription factor Dp 1	0.0013	0.242	0.242
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0009	0.1329	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0079	0.0079
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0023	0.5143	0.5143
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0009	0.1329	0.1329
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.004	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0009	0.1329	0.1329
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0005	0.0079	0.0079
Echinococcus granulosus	ecdysone induced protein 78C	0.0009	0.1329	0.1329
Schistosoma mansoni	coup transcription factor	0.0009	0.1329	0.1261
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0009	0.1329	0.1261
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0009	0.1329	0.1329
Onchocerca volvulus	Protein ultraspiracle homolog	0.0009	0.1329	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0009	0.1329	0.1261
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.004	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0009	0.1329	0.1329
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0009	0.1329	0.1329
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.004	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0009	0.1329	0.1261
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0009	0.1329	0.1261
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0009	0.1329	0.1261
Brugia malayi	nuclear receptor NHR-88	0.0009	0.1329	0.1261
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.004	1	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0009	0.1329	0.1329
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.004	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0009	0.1329	0.1261
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0005	0.0079	0.0079
Brugia malayi	nuclear hormone receptor	0.0009	0.1329	0.1261
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0009	0.1329	0.1329
Loa Loa (eye worm)	hypothetical protein	0.0009	0.1329	0.1329
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.004	1	0.5
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.004	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0009	0.1329	0.1329
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0023	0.5143	0.5143
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.004	1	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0009	0.1329	0.1329
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0009	0.1329	0.1329
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0079	0.0079
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0009	0.1329	0.1329
Echinococcus granulosus	transcription factor Dp 1	0.0013	0.242	0.242
Schistosoma mansoni	retinoic acid receptor RXR	0.0009	0.1329	0.1261
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0009	0.1329	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0009	0.1329	0.1329
Echinococcus granulosus	FTZ F1 alpha	0.0009	0.1329	0.1329
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0009	0.1329	0.1261
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.004	1	1

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: CHEMBL3490104

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 2068303