TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.435 | Formula: C19H26N4O2
H donors: 0 H acceptors: 2 LogP: 2.09 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1onc(c1CN1CCC2(CC1)OCCN(C2)c1ccccn1)C
InChi: 1S/C19H26N4O2/c1-15-17(16(2)25-21-15)13-22-9-6-19(7-10-22)14-23(11-12-24-19)18-5-3-4-8-20-18/h3-5,8H,6-7,9-14H2,1-2H3
InChiKey: JOABSOGVIHIMQD-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
Trypanosoma brucei	DNA polymerase eta, putative	0.005	0.011	0.5
Loa Loa (eye worm)	RNA binding protein	0.0064	0.1035	0.1035
Echinococcus multilocularis	geminin	0.0172	0.7861	0.7861
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0205	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.1035	0.1035
Brugia malayi	ImpB/MucB/SamB family protein	0.005	0.011	0.0131
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1035	0.1035
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1035	0.1035
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0205	1	1
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0205	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0104	0.354	0.354
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.1035	0.1035
Brugia malayi	RNA binding protein	0.0064	0.1035	0.1231
Schistosoma mansoni	hypothetical protein	0.0172	0.7861	0.7861
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0152	0.659	0.7834
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.018	0.8412	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1035	0.1035
Schistosoma mansoni	hypothetical protein	0.0104	0.354	0.354
Schistosoma mansoni	eyes absent homolog	0.0098	0.317	0.317
Echinococcus granulosus	dna polymerase eta	0.005	0.011	0.011
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0152	0.659	0.659
Brugia malayi	TAR-binding protein	0.0064	0.1035	0.1231
Brugia malayi	latrophilin 2 splice variant baaae	0.0104	0.354	0.4208
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.018	0.8412	0.8412
Leishmania major	DNA polymerase eta, putative	0.005	0.011	0.5
Loa Loa (eye worm)	hypothetical protein	0.0098	0.317	0.317
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1035	0.1035
Schistosoma mansoni	hypothetical protein	0.0172	0.7861	0.7861
Loa Loa (eye worm)	hypothetical protein	0.0205	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0152	0.659	0.7834
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.018	0.8412	0.8412
Echinococcus granulosus	geminin	0.0172	0.7861	0.7861
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0205	1	1
Brugia malayi	hypothetical protein	0.0098	0.317	0.3769
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0205	1	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.317	0.317
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.1035	0.1035
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.1035	0.1231
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0205	1	0.5
Echinococcus granulosus	tar DNA binding protein	0.0064	0.1035	0.1035
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.018	0.8412	0.8412
Trypanosoma cruzi	DNA polymerase eta, putative	0.005	0.011	0.5
Echinococcus multilocularis	dna polymerase eta	0.005	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.0152	0.659	0.659
Schistosoma mansoni	DNA polymerase eta	0.005	0.011	0.011
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1035	0.1035
Loa Loa (eye worm)	hypothetical protein	0.005	0.011	0.011

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: CHEMBL3552632

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 1159627