TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 289.717 | Formula: C14H12ClN3O2
H donors: 2 H acceptors: 1 LogP: 2.18 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)c1nc([nH]c(=O)c1o2)C1CCCN1
InChi: 1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)
InChiKey: JJWLXRKVUJDJKG-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
Loa Loa (eye worm)	Csnk2b protein	0.0044	0.1947	0.1947
Trichomonas vaginalis	CMGC family protein kinase	0.0082	0.4	1
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0194	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0194	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0022	0.0732	0.0732
Brugia malayi	Csnk2b protein	0.0044	0.1947	0.1947
Echinococcus granulosus	casein kinase ii subunit alpha	0.0082	0.4	0.4
Entamoeba histolytica	casein kinase, putative	0.0082	0.4	1
Trichomonas vaginalis	CMGC family protein kinase	0.0082	0.4	1
Trichomonas vaginalis	CMGC family protein kinase	0.0082	0.4	1
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0194	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Echinococcus multilocularis	CDC7 cell division cycle 7	0.007	0.333	0.333
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0012	0.0188	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0711	0.0711
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Loa Loa (eye worm)	CDC7 protein kinase	0.007	0.333	0.333
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0044	0.1947	0.4513
Giardia lamblia	Kinase, CDC7	0.007	0.333	0.8209
Echinococcus granulosus	intermediate filament protein	0.0022	0.0732	0.0732
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0194	1	1
Brugia malayi	casein kinase II, putaitve	0.0013	0.0258	0.0258
Brugia malayi	Protein kinase domain containing protein	0.007	0.333	0.333
Brugia malayi	Casein kinase II, alpha chain	0.0082	0.4	0.4
Trichomonas vaginalis	acc synthase, putative	0.0056	0.257	0.6178
Onchocerca volvulus		0.0022	0.0732	0.0732
Echinococcus multilocularis	lamin	0.0022	0.0732	0.0732
Brugia malayi	cytoplasmic intermediate filament protein	0.0012	0.0188	0.0188
Leishmania major	casein kinase II, putative	0.0082	0.4	1
Trichomonas vaginalis	CMGC family protein kinase	0.007	0.333	0.8209
Echinococcus granulosus	lamin dm0	0.0022	0.0732	0.0732
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0082	0.4	0.4
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0082	0.4	1
Giardia lamblia	Kinase, CMGC CK2	0.0082	0.4	1
Schistosoma mansoni	lamin	0.0022	0.0732	0.0732
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.001	0.0126	0.0126
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0082	0.4	1
Trichomonas vaginalis	CMGC family protein kinase	0.0082	0.4	1
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0194	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0126	0.0126
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0044	0.1947	0.1947
Onchocerca volvulus		0.007	0.333	0.333
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0022	0.0732	0.0732
Echinococcus multilocularis	casein kinase ii subunit beta	0.0044	0.1947	0.1947
Schistosoma mansoni	intermediate filament proteins	0.0022	0.0732	0.0732
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Echinococcus granulosus	lamin	0.0022	0.0732	0.0732
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0194	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Entamoeba histolytica	protein kinase domain containing protein	0.0082	0.4	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Trichomonas vaginalis	histidinol-phosphate aminotransferase, putative	0.0056	0.257	0.6178
Loa Loa (eye worm)	hypothetical protein	0.001	0.0105	0.0105
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Schistosoma mansoni	protein kinase	0.0082	0.4	0.4
Trichomonas vaginalis	CMGC family protein kinase	0.0082	0.4	1
Giardia lamblia	Casein kinase II beta chain	0.0044	0.1947	0.4513
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Echinococcus granulosus	casein kinase ii subunit beta	0.0044	0.1947	0.1947
Trypanosoma brucei	Casein kinase II	0.0082	0.4	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0044	0.1947	0.4513
Schistosoma mansoni	serine/threonine protein kinase	0.007	0.333	0.333
Schistosoma mansoni	serine/threonine protein kinase	0.0194	1	1
Echinococcus granulosus	CDC7 cell division cycle 7	0.007	0.333	0.333
Loa Loa (eye worm)	intermediate filament protein	0.0022	0.0732	0.0732
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0044	0.1947	0.1947
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0082	0.4	0.4
Toxoplasma gondii	CMGC kinase, CK2 family	0.0082	0.4	1
Trypanosoma cruzi	casein kinase II, putative	0.0082	0.4	1
Trichomonas vaginalis	acc synthase, putative	0.0056	0.257	0.6178
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0732	0.0732
Trichomonas vaginalis	CMGC family protein kinase	0.007	0.333	0.8209
Schistosoma mansoni	lamin	0.0022	0.0732	0.0732
Trichomonas vaginalis	histidinol-phosphate aminotransferase, putative	0.0056	0.257	0.6178
Echinococcus multilocularis	musashi	0.0022	0.0732	0.0732
Schistosoma mansoni	casein kinase II beta subunit	0.0044	0.1947	0.1947
Brugia malayi	intermediate filament protein	0.0022	0.0732	0.0732
Onchocerca volvulus		0.0022	0.0732	0.0732
Trichomonas vaginalis	CMGC family protein kinase	0.007	0.333	0.8209
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0044	0.1947	0.4513
Loa Loa (eye worm)	hypothetical protein	0.001	0.0105	0.0105
Trichomonas vaginalis	CMGC family protein kinase	0.0082	0.4	1
Trichomonas vaginalis	CMGC family protein kinase	0.0082	0.4	1
Echinococcus multilocularis	lamin dm0	0.0022	0.0732	0.0732
Loa Loa (eye worm)	casein kinase II	0.0013	0.0258	0.0258
Plasmodium vivax	unspecified product	0.0082	0.4	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.001	0.0126	0.0126
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0044	0.1947	0.4513
Onchocerca volvulus		0.007	0.333	0.333

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: CHEMBL3544944

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 2072725