TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 207.252 | Formula: C9H9N3OS
H donors: 2 H acceptors: 2 LogP: 1.69 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)c1sc2c(c1N)cccn2
InChi: 1S/C9H9N3OS/c1-11-8(13)7-6(10)5-3-2-4-12-9(5)14-7/h2-4H,10H2,1H3,(H,11,13)
InChiKey: UXCIDOGQTQTFGY-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
Mycobacterium ulcerans	hypothetical protein	0.0006	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0105	1	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0105	1	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0009	0.029	0.029
Mycobacterium ulcerans	hypothetical protein	0.0006	0	0.5
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0009	0.029	0.029
Mycobacterium ulcerans	transmembrane transport protein	0.0006	0	0.5
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0007	0.0096	0.0096
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0009	0.029	0.029
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0009	0.029	0.029
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0009	0.029	0.029
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0105	1	1
Mycobacterium ulcerans	hypothetical protein	0.0006	0	0.5
Treponema pallidum	catabolite gene activator	0.0006	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0105	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0105	1	1
Treponema pallidum	cyclic nucleotide binding protein	0.0006	0	0.5
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0009	0.029	0.029
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0105	1	1
Treponema pallidum	cyclic nucleotide binding protein	0.0006	0	0.5
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.0694	0.0694
Mycobacterium ulcerans	transcriptional regulatory protein	0.0006	0	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0694	0.0694
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0105	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0007	0.0096	0.0096
Echinococcus multilocularis	expressed conserved protein	0.0007	0.0096	0.0096
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0009	0.029	0.029
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0105	1	1
Mycobacterium ulcerans	hypothetical protein	0.0006	0	0.5
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0009	0.029	0.029
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.005	0.4477	0.4477
Onchocerca volvulus		0.0006	0	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0694	0.0694
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.005	0.4477	0.4477
Leishmania major	protein kinase, putative	0.0007	0.0096	0.0096
Chlamydia trachomatis	cAMP-dependent protein kinase regulatory subunit	0.0006	0	0.5
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.029	0.029
Giardia lamblia	Kinase, CMGC MAPK	0.0105	1	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0006	0	0.5
Mycobacterium tuberculosis	Probable transcriptional regulatory protein Cmr	0.0006	0	0.5
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0009	0.029	0.029
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0105	1	1
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0009	0.029	0.029
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0105	1	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.0694	0.0694
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0694	0.0694
Echinococcus granulosus	hyperpolarization activated cyclic	0.0009	0.029	0.029
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0009	0.029	0.029
Schistosoma mansoni	60S ribosomal protein L21	0.0007	0.0113	0.0113
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0105	1	1
Plasmodium vivax	rap guanine nucleotide exchange factor, putative	0.0006	0	0.5
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0009	0.029	0.029
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0009	0.029	0.029
Toxoplasma gondii	protein kinase G AGC kinase family member PKG	0.0007	0.0096	0.0096
Leishmania major	protein kinase, putative	0.0007	0.0096	0.0096
Schistosoma mansoni	voltage-gated potassium channel	0.0009	0.029	0.029
Trichomonas vaginalis	CMGC family protein kinase	0.0105	1	1
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0009	0.029	0.029
Schistosoma mansoni	serine/threonine protein kinase	0.0007	0.0096	0.0096
Schistosoma mansoni	serine/threonine protein kinase	0.0007	0.0096	0.0096
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0105	1	1
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0009	0.029	0.029
Trypanosoma brucei	protein kinase, putative	0.0105	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0105	1	1
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0007	0.0096	0.0096
Mycobacterium tuberculosis	Probable conserved transmembrane transport protein	0.0006	0	0.5
Echinococcus granulosus	cGMP dependent protein kinase	0.0007	0.0096	0.0096
Treponema pallidum	catabolite gene activator (Crp)	0.0006	0	0.5
Echinococcus granulosus	mitogen activated protein kinase	0.0105	1	1
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0009	0.029	0.029
Mycobacterium tuberculosis	Conserved protein	0.0006	0	0.5
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0007	0.0096	0.0096
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0009	0.029	0.029
Plasmodium falciparum	cGMP-dependent protein kinase	0.0007	0.0096	1
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.3895	0.3895
Mycobacterium tuberculosis	Probable glutamine-transport ATP-binding protein ABC transporter GlnQ	0.0006	0	0.5
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0009	0.029	0.029
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0007	0.0096	0.0096
Echinococcus granulosus	hyperpolarization activated cyclic	0.0009	0.029	0.029
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0006	0	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0105	1	1
Plasmodium vivax	CAMP-dependent protein kinase regulatory subunit, putative	0.0006	0	0.5
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.0694	0.0694
Loa Loa (eye worm)	hypothetical protein	0.0009	0.029	0.029
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0006	0	0.5
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0009	0.029	0.029
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0105	1	1
Mycobacterium ulcerans	regulatory protein	0.0006	0	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0006	0	0.5
Brugia malayi	Egg laying defective protein 4	0.0007	0.0096	0.0096
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0694	0.0694
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.029	0.029
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0006	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase	0.0105	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0694	0.0694
Onchocerca volvulus		0.0006	0	0.5
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0009	0.029	0.029
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0009	0.029	0.029
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0007	0.0096	0.0096

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 uM	Inhibition of LIMK1 (unknown origin) using cofilin-2 as substrate after 60 mins by Kinase-Glo assay	ChEMBL.	No reference

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: CHEMBL3219014

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 1848527