TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 352.856 | Formula: C18H25ClN2O3
H donors: 1 H acceptors: 1 LogP: 3.05 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(CN1C(CCNCc2cc3OCOc3cc2Cl)CCC1=O)C
InChi: 1S/C18H25ClN2O3/c1-12(2)10-21-14(3-4-18(21)22)5-6-20-9-13-7-16-17(8-15(13)19)24-11-23-16/h7-8,12,14,20H,3-6,9-11H2,1-2H3
InChiKey: XLNZGFUCOUKTPK-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
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0	0.5
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0168	1	1
Entamoeba histolytica	protein kinase, putative	0.0026	0.0519	0.1035
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0026	0.0519	0.0649
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0	0.5
Echinococcus granulosus	geminin	0.0167	0.9959	0.9959
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0022	0.0245	0.0245
Schistosoma mansoni	serine/threonine protein kinase	0.0168	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0	0.5
Echinococcus granulosus	protein kinase c epsilon type	0.0048	0.2	0.2
Schistosoma mansoni	serine/threonine protein kinase	0.0048	0.2	0.2
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.501	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0026	0.0519	0.0519
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0019	0.0048	0.0058
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.012	0.6764	0.6764
Echinococcus multilocularis	serine threonine protein kinase	0.015	0.8774	0.8774
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0026	0.0519	0.1035
Schistosoma mansoni	protein kinase C mu	0.0019	0.0048	0.0048
Entamoeba histolytica	protein kinase, putative	0.0026	0.0519	0.1035
Giardia lamblia	Kinase, PLK	0.0093	0.501	1
Schistosoma mansoni	kinase	0.0048	0.1957	0.1957
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0026	0.0519	0.0649
Entamoeba histolytica	protein kinase, putative	0.0026	0.0519	0.1035
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0048	0.0048
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0124	0.7077	0.8856
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0019	0.0048	0.0048
Echinococcus multilocularis	protein kinase c epsilon type	0.0048	0.2	0.2
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0	0.5
Echinococcus multilocularis	RNA directed DNA polymerase	0.012	0.6764	0.6764
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.501	1
Trypanosoma brucei	polo-like protein kinase	0.0093	0.501	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.501	1
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0026	0.0519	0.0519
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.6651	0.8324
Schistosoma mansoni	protein kinase C	0.0022	0.0245	0.0245
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0519	0.0625
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0026	0.0519	0.0519
Schistosoma mansoni	serine/threonine kinase	0.0026	0.0519	0.0519
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0022	0.0245	0.0245
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.501	0.627
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.501	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0245	0.0307
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0048	0.0048
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.501	1
Schistosoma mansoni	serine/threonine protein kinase	0.0168	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0026	0.0519	0.0649
Brugia malayi	C1-like domain containing protein	0.0019	0.0048	0.0058
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.501	0.6034
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0026	0.0519	0.0519
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0026	0.0519	0.0519
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.501	0.501
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0048	0.2	0.2502
Schistosoma mansoni	hypothetical protein	0.0167	0.9959	0.9959
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0026	0.0519	0.0519
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0026	0.0519	0.0519
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.501	1
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0519	0.0625
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0019	0.0048	0.006
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0026	0.0519	0.0519
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.501	1
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0519	0.0519
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0019	0.0048	0.006
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.501	1
Brugia malayi	Hr1 repeat family protein	0.0026	0.0519	0.0625
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0026	0.0519	0.0649
Brugia malayi	MH2 domain containing protein	0.0118	0.6651	0.8011
Echinococcus multilocularis	geminin	0.0167	0.9959	0.9959
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0519	0.0519
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0519	0.0519
Echinococcus granulosus	protein kinase C gamma type	0.015	0.8774	0.8774
Brugia malayi	Protein kinase c protein 2	0.0143	0.8303	1
Schistosoma mansoni	atypical protein kinase C	0.0045	0.1745	0.1745
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0026	0.0519	0.0649
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.1875	0.3742
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.6651	0.8324
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.501	1
Echinococcus multilocularis	unc 13 (munc13)	0.0022	0.0245	0.0245
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.501	1
Entamoeba histolytica	protein kinase, putative	0.0026	0.0519	0.1035
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Loa Loa (eye worm)	hypothetical protein	0.0138	0.7991	1
Brugia malayi	protein kinase C3,putative	0.0019	0.0048	0.0058
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0026	0.0519	0.0519
Echinococcus granulosus	protein kinase c iota type	0.0045	0.1745	0.1745
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Schistosoma mansoni	unc-13 (munc13)	0.0022	0.0245	0.0245
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.501	0.501
Loa Loa (eye worm)	hypothetical protein	0.012	0.6764	0.8465
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0026	0.0519	0.0519
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0519	0.0625
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.1875	0.3742
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0	0.5
Schistosoma mansoni	unc-13 (munc13)	0.0022	0.0245	0.0245
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0026	0.0519	0.0649
Brugia malayi	protein kinase C II.	0.0048	0.2	0.2408
Toxoplasma gondii	AGC kinase	0.0026	0.0519	1
Echinococcus multilocularis	protein kinase c iota type	0.0045	0.1745	0.1745
Schistosoma mansoni	hypothetical protein	0.0167	0.9959	0.9959
Echinococcus granulosus	NDR protein kinase	0.0026	0.0519	0.0519
Brugia malayi	Protein kinase domain containing protein	0.0019	0.0048	0.0058
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.501	1
Echinococcus granulosus	unc 13 munc13	0.0022	0.0245	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0519	0.0649
Brugia malayi	p70 ribosomal S6 kinase beta	0.0026	0.0519	0.0625
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0025	0.0461	0.092
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.501	0.501
Echinococcus granulosus	RNA directed DNA polymerase	0.012	0.6764	0.6764
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0019	0.0048	0.0048
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0519	0.1035
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.501	1
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0026	0.0519	0.0649
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0519	0.0519

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 809176