TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 328.435 | Formula: C16H20N6S
H donors: 2 H acceptors: 4 LogP: 4.69 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: C1CCC(CC1)CCc1nnc([nH]1)Nc1ccc2c(c1)snn2
InChi: 1S/C16H20N6S/c1-2-4-11(5-3-1)6-9-15-18-16(21-20-15)17-12-7-8-13-14(10-12)23-22-19-13/h7-8,10-11H,1-6,9H2,(H2,17,18,20,21)
InChiKey: KFGDAQAPDNLONG-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
Echinococcus multilocularis	transcription factor collier	0.0094	0.073	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0094	0.073	0.0796
Loa Loa (eye worm)	sema domain-containing protein	0.0214	0.2766	0.3017
Loa Loa (eye worm)	plexin A	0.0591	0.9169	1
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.073	0.5
Entamoeba histolytica	tyrosin kinase, putative	0.0123	0.1223	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.2766	0.3017
Loa Loa (eye worm)	hypothetical protein	0.0094	0.073	0.0796
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.073	0.5
Loa Loa (eye worm)	hypothetical protein	0.0094	0.073	0.0796
Echinococcus granulosus	exocyst complex component 2	0.0094	0.073	0.073
Echinococcus multilocularis	exocyst complex component 2	0.0094	0.073	0.0796
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0094	0.073	0.5
Loa Loa (eye worm)	hypothetical protein	0.0497	0.7581	0.8268
Onchocerca volvulus	Tyrosine kinase homolog	0.0184	0.2271	0.092
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.073	0.5
Echinococcus multilocularis	hypothetical protein	0.0214	0.2766	0.3017
Entamoeba histolytica	protein kinase domain containing protein	0.0123	0.1223	1
Brugia malayi	Sema domain containing protein	0.0214	0.2766	0.2413
Onchocerca volvulus		0.0497	0.7581	1
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0094	0.073	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0094	0.073	0.5
Schistosoma mansoni	plexin	0.0497	0.7581	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.2766	0.3017
Brugia malayi	Sema domain containing protein	0.0214	0.2766	0.2413
Loa Loa (eye worm)	hypothetical protein	0.0214	0.2766	0.3017
Brugia malayi	hypothetical protein	0.0214	0.2766	0.2413
Schistosoma mansoni	plexin	0.0284	0.3956	0.4709
Echinococcus granulosus	semaphorin 1A	0.0214	0.2766	0.2766
Loa Loa (eye worm)	hypothetical protein	0.0214	0.2766	0.3017
Loa Loa (eye worm)	hypothetical protein	0.0094	0.073	0.0796
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.023	0.304	0.3316
Echinococcus multilocularis	semaphorin 5B	0.0214	0.2766	0.3017
Schistosoma mansoni	semaphorin 5-related	0.0214	0.2766	0.2973
Echinococcus multilocularis	plexin a4	0.0591	0.9169	1
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.073	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.023	0.304	0.2738
Loa Loa (eye worm)	hypothetical protein	0.0284	0.3956	0.4314
Echinococcus granulosus	transcription factor collier	0.0094	0.073	0.073
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.073	0.5
Brugia malayi	hypothetical protein	0.0214	0.2766	0.2413
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0094	0.073	0.5
Schistosoma mansoni	hypothetical protein	0.0214	0.2766	0.2973
Loa Loa (eye worm)	hypothetical protein	0.0214	0.2766	0.3017
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0094	0.073	0.5
Loa Loa (eye worm)	sema domain-containing protein	0.0214	0.2766	0.3017
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.073	0.5
Onchocerca volvulus		0.0214	0.2766	0.1768
Schistosoma mansoni	hypothetical protein	0.0284	0.3956	0.4709
Loa Loa (eye worm)	hypothetical protein	0.0214	0.2766	0.3017
Brugia malayi	Plexin repeat family protein	0.0497	0.7581	0.8118
Echinococcus granulosus	semaphorin 5B	0.0214	0.2766	0.2766
Echinococcus granulosus	plexin a4	0.0591	0.9169	0.9169
Schistosoma mansoni	hypothetical protein	0.0214	0.2766	0.2973
Brugia malayi	plexin A	0.0591	0.9169	1
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.073	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 uM	Inhibition of PRMT3 (unknown origin) using histone H4 (1 to 24) as substrate after 1 hr by scintillation proximity assay in presence of [3H]-S-adenosylmethionine	ChEMBL.	23445220

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: CHEMBL2325162

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1724510