TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 350.883 | Formula: C19H27ClN2O2
H donors: 1 H acceptors: 2 LogP: 3.51 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCC(NC(=O)C1CCC(=O)N(C1)CCc1ccc(cc1)Cl)CC
InChi: 1S/C19H27ClN2O2/c1-3-17(4-2)21-19(24)15-7-10-18(23)22(13-15)12-11-14-5-8-16(20)9-6-14/h5-6,8-9,15,17H,3-4,7,10-13H2,1-2H3,(H,21,24)
InChiKey: DZEQYBQOWRMEGM-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
Onchocerca volvulus		0.0977	0.9075	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0103	0.0103
Brugia malayi	amine oxidase, flavin-containing family protein	0.0043	0.0117	0.0117
Toxoplasma gondii	histone arginine methyltransferase PRMT3	0.0096	0.0633	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0117	0.0117
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0442	0.0343
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0043	0.0117	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0117	0.0117
Brugia malayi	hypothetical protein	0.0043	0.0117	0.0117
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0442	0.0442
Echinococcus granulosus	protein arginine N methyltransferase 7	0.0096	0.0633	0.0523
Brugia malayi	SWIRM domain containing protein	0.0043	0.0117	0.0117
Brugia malayi	MH2 domain containing protein	0.0144	0.1091	0.1091
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0096	0.0633	0.5
Brugia malayi	RNA binding protein	0.0076	0.0442	0.0442
Leishmania major	arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490	0.0096	0.0633	1
Echinococcus granulosus	histone arginine methyltransferase CARMER	0.1073	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0117	0.0117
Trypanosoma cruzi	arginine N-methyltransferase, type I	0.0096	0.0633	1
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0096	0.0633	0.5
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0096	0.0633	0.5
Schistosoma mansoni	amine oxidase	0.0043	0.0117	0.0014
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0442	0.0343
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0442	0.0329
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0285	0.0285
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0043	0.0117	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0103	0.0103
Trypanosoma cruzi	arginine N-methyltransferase, type III	0.0096	0.0633	1
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0043	0.0117	0.0014
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0117	0.0117
Schistosoma mansoni	amine oxidase	0.0043	0.0117	0.0014
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0043	0.0117	0.1842
Trypanosoma cruzi	arginine N-methyltransferase, type I	0.0096	0.0633	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0043	0.0117	0.1842
Toxoplasma gondii	bicoid-interacting protein BIN3	0.0096	0.0633	0.0633
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0096	0.0633	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1091	0.1091
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0043	0.0117	1
Brugia malayi	hypothetical protein	0.0096	0.0633	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0117	0.0117
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0043	0.0117	0.5
Toxoplasma gondii	histone arginine methyltransferase PRMT4/CARM1	0.1073	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0285	0.0285
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0605	0.551	1
Loa Loa (eye worm)	Carm1-pending protein	0.1073	1	1
Plasmodium falciparum	protoporphyrinogen oxidase	0.0043	0.0117	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0442	0.0442
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0562	0.5102	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0633	0.0633
Entamoeba histolytica	arginine N-methyltransferase 1, putative	0.0096	0.0633	0.5
Schistosoma mansoni	hypothetical protein	0.0096	0.0633	0.0536
Brugia malayi	TAR-binding protein	0.0076	0.0442	0.0442
Leishmania major	arginine N-methyltransferase, type I	0.0096	0.0633	1
Echinococcus multilocularis	histone arginine methyltransferase CARMER	0.1073	1	1
Brugia malayi	Protein arginine N-methyltransferase	0.0096	0.0633	0.0633
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0043	0.0117	0.0117
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0096	0.0633	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0117	0.0117
Leishmania major	UDP-galactopyranose mutase	0.0043	0.0117	0.1842
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0117	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0442	0.0343
Schistosoma mansoni	protein arginine n-methyltransferase	0.1073	1	1
Echinococcus multilocularis	protein arginine N methyltransferase 7	0.0096	0.0633	0.0523
Loa Loa (eye worm)	protein arginine N-methyltransferase	0.0096	0.0633	0.0633
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0442	0.0329
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0043	0.0117	1
Entamoeba histolytica	arginine N-methyltransferase protein, putative	0.0096	0.0633	0.5
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0043	0.0117	0.0014
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0442	0.0343
Trypanosoma brucei	Protein arginine N-methyltransferase 1 catalytic subunit	0.0096	0.0633	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1091	0.1091
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0117	1
Echinococcus granulosus	methyltransferase protein 5	0.0096	0.0633	0.0523
Trypanosoma brucei	protein arginine n-methyltransferase 7	0.0096	0.0633	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0605	0.551	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0442	0.0343
Entamoeba histolytica	hypothetical protein	0.0096	0.0633	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.0285	0.0285
Trypanosoma cruzi	protein arginine n-methyltransferase 7	0.0096	0.0633	1
Toxoplasma gondii	histone lysine-specific demethylase	0.0043	0.0117	0.0117
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0043	0.0117	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0285	0.0285
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0442	0.0442

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 911914