TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 333.472 | Formula: C18H31N5O
H donors: 1 H acceptors: 2 LogP: 1.01 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCn1ccnc1CN1CCN(CC1)C(C(=O)NC1CCCC1)C
InChi: 1S/C18H31N5O/c1-3-22-9-8-19-17(22)14-21-10-12-23(13-11-21)15(2)18(24)20-16-6-4-5-7-16/h8-9,15-16H,3-7,10-14H2,1-2H3,(H,20,24)
InChiKey: LWNKEWLJPXLYMO-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
Toxoplasma gondii	Alpha-amylase AMY3, putative	0.0025	0.0505	0.2544
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0069	0.1987	0.1987
Entamoeba histolytica	alpha-amylase, putative	0.0025	0.0505	0.149
Plasmodium falciparum	tyrosine--tRNA ligase	0.0011	0.0049	1
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0069	0.1987	1
Entamoeba histolytica	alpha-amylase family protein	0.0025	0.0505	0.149
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0311	1	1
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Mycobacterium tuberculosis	Maltooligosyltrehalose trehalohydrolase TreZ	0.0025	0.0505	0.1623
Echinococcus multilocularis	tyrosyl tRNA synthetase	0.0019	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.004	0.1022	0.1022
Entamoeba histolytica	alpha-amylase family protein	0.0025	0.0505	0.149
Mycobacterium ulcerans	trehalose synthase TreS	0.0103	0.3114	1
Brugia malayi	Alpha amylase, catalytic domain containing protein	0.0103	0.3114	0.3114
Schistosoma mansoni	alpha-amylase	0.0103	0.3114	0.3447
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0069	0.1987	0.6322
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.004	0.1022	0.5144
Entamoeba histolytica	hypothetical protein	0.0025	0.0505	0.149
Loa Loa (eye worm)	MH2 domain-containing protein	0.0074	0.2147	0.2147
Loa Loa (eye worm)	alpha amylase	0.0103	0.3114	0.3114
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.1022	0.5023
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0069	0.1987	0.1987
Echinococcus multilocularis	alpha glucosidase	0.0103	0.3114	0.3114
Entamoeba histolytica	beta/alpha-amylase precursor, putative	0.0025	0.0505	0.149
Mycobacterium tuberculosis	Maltooligosyltrehalose synthase TreY	0.0025	0.0505	0.1623
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Brugia malayi	1,4-alpha-glucan branching enzyme	0.0025	0.0505	0.0505
Schistosoma mansoni	alpha-amylase	0.0103	0.3114	0.3447
Trichomonas vaginalis	alpha-glucosidase, putative	0.0069	0.1987	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0069	0.1987	0.6322
Toxoplasma gondii	1,4-alpha-glucan-branching enzyme	0.0025	0.0505	0.2544
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.1022	0.3175
Trypanosoma cruzi	tyrosyl-tRNA synthetase, putative	0.0011	0.0049	0.0244
Echinococcus granulosus	trehalose 6 phosphate hydrolase	0.0025	0.0505	0.0505
Mycobacterium leprae	Putative uncharacterized protein ML2045	0.0103	0.3114	0.5
Entamoeba histolytica	oligo-1,6-glucosidase, putative	0.0103	0.3114	1
Echinococcus granulosus	alpha glucosidase	0.0103	0.3114	0.3114
Toxoplasma gondii	glycosyltransferase	0.0025	0.0505	0.2544
Echinococcus granulosus	neutral alpha glucosidase AB	0.0069	0.1987	0.1987
Schistosoma mansoni	tyrosyl-tRNA synthetase	0.0019	0.0329	0.0364
Entamoeba histolytica	alpha-amylase, putative	0.0025	0.0505	0.149
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0069	0.1987	1
Trypanosoma brucei	glucosidase, putative	0.0069	0.1987	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0311	1	1
Trichomonas vaginalis	starch branching enzyme II, putative	0.0025	0.0505	0.2357
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.1022	0.5023
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0069	0.1987	1
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Mycobacterium tuberculosis	1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme)	0.0025	0.0505	0.1623
Trypanosoma cruzi	hypothetical protein, conserved	0.0069	0.1987	1
Toxoplasma gondii	tRNA synthetases class I family protein	0.0011	0.0049	0.0244
Brugia malayi	MH2 domain containing protein	0.0074	0.2147	0.2147
Loa Loa (eye worm)	transcription factor SMAD2	0.0074	0.2147	0.2147
Schistosoma mansoni	alpha-glucosidase	0.0282	0.9035	1
Brugia malayi	Alpha amylase, catalytic domain containing protein	0.0103	0.3114	0.3114
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0505	0.2357
Schistosoma mansoni	alpha glucosidase	0.0069	0.1987	0.2199
Schistosoma mansoni	alpha-amylase	0.0103	0.3114	0.3447
Loa Loa (eye worm)	alpha amylase	0.0103	0.3114	0.3114
Trichomonas vaginalis	amylase, putative	0.0025	0.0505	0.2357
Trichomonas vaginalis	maltase-glucoamylase, putative	0.004	0.1022	0.5023
Leishmania major	alpha glucosidase II subunit, putative	0.0069	0.1987	1
Echinococcus granulosus	glucan 14 alpha branching enzyme 1	0.0025	0.0505	0.0505
Trichomonas vaginalis	alpha-glucosidase, putative	0.0069	0.1987	1
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Trichomonas vaginalis	alpha-glucosidase, putative	0.0069	0.1987	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0069	0.1987	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0069	0.1987	0.1987
Chlamydia trachomatis	1,4-alpha-glucan branching enzyme	0.0025	0.0505	0.5
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0025	0.0505	0.149
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.1022	0.5023
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.1022	0.5023
Schistosoma mansoni	alpha-amylase	0.0103	0.3114	0.3447
Giardia lamblia	1,4-alpha-glucan branching enzyme	0.0025	0.0505	1
Echinococcus multilocularis	glucan (1,4 alpha), branching enzyme 1	0.0025	0.0505	0.0505
Chlamydia trachomatis	glycogen hydrolase	0.0025	0.0505	0.5
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Leishmania major	glycosyl hydrolase-like protein	0.004	0.1022	0.5144
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Trypanosoma brucei	glycosyl hydrolase-like protein	0.004	0.1022	0.5144
Schistosoma mansoni	alpha-amylase	0.0103	0.3114	0.3447
Trypanosoma cruzi	hypothetical protein, conserved	0.0069	0.1987	1
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.004	0.1022	0.5144
Trichomonas vaginalis	amylase, putative	0.0025	0.0505	0.2357
Leishmania major	tyrosyl-tRNA synthetase, putative	0.0011	0.0049	0.0244
Echinococcus granulosus	tyrosyl tRNA synthetase	0.0019	0.0329	0.0329
Mycobacterium tuberculosis	Probable glucanase GlgE	0.0025	0.0505	0.1623
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.1022	0.5023
Entamoeba histolytica	alpha-amylase family protein	0.0025	0.0505	0.149
Trichomonas vaginalis	amylase, putative	0.0025	0.0505	0.2357
Mycobacterium tuberculosis	Trehalose synthase TreS	0.0103	0.3114	1
Schistosoma mansoni	hypothetical protein	0.0025	0.0505	0.0559
Toxoplasma gondii	alpha amylase, catalytic domain-containing protein	0.0025	0.0505	0.2544
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0025	0.0505	0.149
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0311	1	1
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0069	0.1987	1
Trichomonas vaginalis	alpha-amylase, putative	0.0025	0.0505	0.2357
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.1022	0.1022
Plasmodium vivax	tyrosine--tRNA ligase, putative	0.0011	0.0049	1
Schistosoma mansoni	alpha-glucosidase	0.0282	0.9035	1
Echinococcus multilocularis	trehalose 6 phosphate hydrolase	0.0025	0.0505	0.0505
Trichomonas vaginalis	alpha-glucosidase, putative	0.0069	0.1987	1
Trichomonas vaginalis	amylase, putative	0.0025	0.0505	0.2357
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0505	0.0505
Schistosoma mansoni	starch branching enzyme II	0.0025	0.0505	0.0559
Mycobacterium tuberculosis	Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas	0.0103	0.3114	1
Entamoeba histolytica	alpha-amylase family protein	0.0025	0.0505	0.149
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.1022	0.5023
Trichomonas vaginalis	alpha-glucosidase, putative	0.0069	0.1987	1
Onchocerca volvulus		0.0282	0.9035	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0311	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.1022	0.5023
Trypanosoma brucei	tyrosyl-tRNA synthetase, putative	0.0011	0.0049	0.0244

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: CHEMBL3490008

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2071790