TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 309.407 | Formula: C13H15N3O2S2
H donors: 1 H acceptors: 2 LogP: 4.09 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1sc(nc1C)N/N=C(/c1cccs1)\C
InChi: 1S/C13H15N3O2S2/c1-4-18-12(17)11-9(3)14-13(20-11)16-15-8(2)10-6-5-7-19-10/h5-7H,4H2,1-3H3,(H,14,16)/b15-8+
InChiKey: NZQFXGZUKPADMY-OVCLIPMQSA-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	Casein kinase II, alpha chain	0.0134	0.1447	0.4967
Trichomonas vaginalis	CMGC family protein kinase	0.0134	0.1447	1
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0134	0.1447	0.4967
Schistosoma mansoni	hypothetical protein	0.0037	0.024	0.166
Entamoeba histolytica	casein kinase, putative	0.0134	0.1447	1
Trypanosoma brucei	Casein kinase II	0.0134	0.1447	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0074	0.0254
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0023	0.0074	0.0074
Brugia malayi	aryl hydrocarbon receptor nuclear translocator protein, putative	0.0023	0.0074	0.0254
Trichomonas vaginalis	CMGC family protein kinase	0.0134	0.1447	1
Brugia malayi	hypothetical protein	0.0037	0.024	0.0824
Toxoplasma gondii	CMGC kinase, CK2 family	0.0134	0.1447	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0023	0.0074	0.0511
Schistosoma mansoni	protein kinase	0.0134	0.1447	1
Schistosoma mansoni	hypothetical protein	0.0023	0.0074	0.0511
Plasmodium vivax	unspecified product	0.0134	0.1447	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.024	0.166
Trypanosoma cruzi	casein kinase II, putative	0.0134	0.1447	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0023	0.0074	0.0511
Trichomonas vaginalis	CMGC family protein kinase	0.0134	0.1447	1
Mycobacterium leprae	Possible transporter protein	0.0023	0.0074	0.5
Giardia lamblia	Kinase, CMGC CK2	0.0134	0.1447	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0023	0.0074	0.0511
Schistosoma mansoni	voltage-gated potassium channel	0.0023	0.0074	0.0511
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0023	0.0074	0.0254
Onchocerca volvulus		0.0232	0.2668	0.5
Echinococcus multilocularis	voltage gated potassium channel	0.0023	0.0074	0.0074
Leishmania major	casein kinase II, putative	0.0134	0.1447	0.5
Schistosoma mansoni	60S ribosomal protein L21	0.0023	0.0074	0.0511
Loa Loa (eye worm)	MH2 domain-containing protein	0.0252	0.2913	1
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0134	0.1447	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0023	0.0074	0.0511
Echinococcus granulosus	voltage gated potassium channel	0.0023	0.0074	0.0511
Trichomonas vaginalis	CMGC family protein kinase	0.0134	0.1447	1
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0134	0.1447	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0023	0.0074	0.0511
Brugia malayi	MH2 domain containing protein	0.0252	0.2913	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.024	0.024
Loa Loa (eye worm)	transcription factor SMAD2	0.0252	0.2913	1
Echinococcus granulosus	casein kinase ii subunit alpha	0.0134	0.1447	1
Loa Loa (eye worm)	CAMK/CAMKL/PASK protein kinase	0.0232	0.2668	0.9158
Entamoeba histolytica	protein kinase domain containing protein	0.0134	0.1447	1
Trichomonas vaginalis	CMGC family protein kinase	0.0134	0.1447	1
Echinococcus granulosus	single minded 2	0.0023	0.0074	0.0511
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.024	0.166
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0134	0.1447	0.1447
Trichomonas vaginalis	CMGC family protein kinase	0.0134	0.1447	1
Trichomonas vaginalis	CMGC family protein kinase	0.0134	0.1447	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: CHEMBL2436509

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 1789116