TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 284.356 | Formula: C16H20N4O
H donors: 0 H acceptors: 2 LogP: 1.34 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCN(CC1)c1nccn1C)Cc1ccccc1
InChi: 1S/C16H20N4O/c1-18-8-7-17-16(18)20-11-9-19(10-12-20)15(21)13-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3
InChiKey: JMBOSHDTCYOBJQ-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
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0037	0.0539	0.14
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0472	0.1142
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0472	0.5136
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0114	0.2773	0.2645
Loa Loa (eye worm)	hypothetical protein	0.0114	0.2773	0.2645
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0479	0.1169
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0765	0.06
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0045	0.0765	0.227
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0472	0.0302
Onchocerca volvulus		0.0037	0.0539	0.0291
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0163	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0539	0.037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.043	0.444
Brugia malayi	hypothetical protein	0.0037	0.0539	0.037
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0472	0.0302
Onchocerca volvulus		0.0114	0.2773	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0045	0.0765	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.0472	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0306	0.2387
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0163	0.0018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0497	0.556
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0765	0.06
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0472	0.5136
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0472	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0539	0.037
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0479	0.1169
Echinococcus granulosus	apoptotic protease activating factor 1	0.0037	0.0539	0.14
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0472	0.5
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0075	0.0985
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0497	0.556
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0472	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0472	0.5136
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.043	0.444
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0479	0.1169
Onchocerca volvulus	Deterin homolog	0.0114	0.2773	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0472	0.0302
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0472	0.5
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0036	0.0498	0.0909
Onchocerca volvulus	Cell death protein 3 homolog	0.0037	0.0539	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0114	0.2773	0.2645
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0472	0.5
Trichomonas vaginalis	esterase, putative	0.0035	0.0472	0.5136
Mycobacterium ulcerans	lipase LipD	0.0035	0.0472	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0765	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0497	0.556
Brugia malayi	hypothetical protein	0.0035	0.0479	0.0309
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0114	0.2773	1
Schistosoma mansoni	caspase-7 (C14 family)	0.0037	0.0539	0.14
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0231	0.1138
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0114	0.2773	0.2645
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.043	0.444
Schistosoma mansoni	hypothetical protein	0.0035	0.0479	0.1169
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0472	0.6166
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0045	0.0765	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0231	0.1138
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0472	0.0302
Loa Loa (eye worm)	transcription factor SMAD2	0.0364	1	1
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0114	0.2773	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0472	0.5136
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0045	0.0765	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0497	0.556
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0045	0.0765	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0472	0.1142
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.043	0.444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0163	0.0018
Schistosoma mansoni	hypothetical protein	0.0037	0.0539	0.14
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0238	0.1267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0238	0.1267
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0497	0.556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.043	0.444
Schistosoma mansoni	inhibitor of apoptosis protein	0.0114	0.2773	1
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0114	0.2773	1
Giardia lamblia	GTOR	0.0045	0.0765	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0472	0.1142
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0498	0.6514
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0238	0.1267
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0472	0.5136
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.5941	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0472	0.0302
Trypanosoma cruzi	target of rapamycin kinase 3	0.0036	0.0498	0.0909
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0765	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0472	0.0302
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0472	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0472	0.0302
Brugia malayi	beta-lactamase family protein	0.0035	0.0472	0.0302
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0045	0.0765	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0045	0.0765	0.227
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0472	0.0302
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0045	0.0765	0.227
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.0765	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0472	0.0302
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0163	0.0018
Brugia malayi	Cell death protein 3 precursor	0.0037	0.0539	0.037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0574	0.6827
Echinococcus granulosus	inhibitor of apoptosis protein	0.0114	0.2773	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0334	0.2856
Schistosoma mansoni	hypothetical protein	0.0114	0.2773	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0045	0.0765	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.043	0.444
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0472	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0045	0.0765	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.043	0.444
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0765	1
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0114	0.2773	1
Brugia malayi	beta-lactamase	0.0035	0.0472	0.0302
Echinococcus granulosus	caspase 2	0.0037	0.0539	0.14
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0472	0.0302
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0472	0.1142
Loa Loa (eye worm)	MH2 domain-containing protein	0.0364	1	1
Echinococcus multilocularis	caspase 2	0.0037	0.0539	0.14

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: CHEMBL3547994

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1143392