TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 369.461 | Formula: C20H27N5O2
H donors: 2 H acceptors: 3 LogP: 3 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(CC(=O)Nc1ccc(cc1)Nc1nc(C)cc(n1)N1CCOCC1)C
InChi: 1S/C20H27N5O2/c1-14(2)12-19(26)22-16-4-6-17(7-5-16)23-20-21-15(3)13-18(24-20)25-8-10-27-11-9-25/h4-7,13-14H,8-12H2,1-3H3,(H,22,26)(H,21,23,24)
InChiKey: ACOSIEYIBZNZTG-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	tyrosine protein kinase Src42A	0.0041	0.4157	0.6441
Schistosoma mansoni	tyrosine kinase	0.0005	0.0012	0.0018
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0061	0.6447	0.5
Entamoeba histolytica	protein kinase 2, putative	0.0061	0.6447	0.6443
Trichomonas vaginalis	AGC family protein kinase	0.0091	1	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0031	0.3035	0.4697
Onchocerca volvulus		0.0005	0.0012	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0041	0.4157	0.6441
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0061	0.6447	0.6443
Onchocerca volvulus		0.0005	0.0012	0.5
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0031	0.3035	0.3026
Brugia malayi	Protein kinase domain containing protein	0.0091	1	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0037	0.3693	0.5721
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0031	0.3035	0.4697
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0031	0.3035	0.3026
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.3035	0.4707
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0008	0.0342	0.053
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.3035	0.4707
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0008	0.0342	0.033
Echinococcus granulosus	serine threonine protein kinase nrc	0.0061	0.6447	1
Entamoeba histolytica	protein kinase, putative	0.0091	1	1
Entamoeba histolytica	protein kinase, putative	0.0031	0.3035	0.3026
Echinococcus granulosus	protein kinase c epsilon type	0.0031	0.3035	0.4697
Echinococcus granulosus	protein kinase C gamma type	0.0031	0.3035	0.4697
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0009	0.0475	0.072
Trichomonas vaginalis	AGC family protein kinase	0.0091	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0041	0.4157	0.6441
Echinococcus multilocularis	NCK adaptor protein	0.0008	0.0342	0.0513
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0009	0.0475	0.0737
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0037	0.3693	0.5721
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0031	0.3035	0.4697
Echinococcus granulosus	NCK adaptor protein	0.0008	0.0342	0.0513
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0091	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0091	1	1
Echinococcus multilocularis	nervana 2	0.006	0.6369	0.9878
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0031	0.3035	0.3026
Schistosoma mansoni	serine/threonine-protein kinase	0.0061	0.6447	1
Echinococcus granulosus	NDR protein kinase	0.0031	0.3035	0.4697
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0041	0.4157	0.6441
Onchocerca volvulus		0.0005	0.0012	0.5
Brugia malayi	Sex muscle abnormal protein 5	0.0008	0.0342	0.033
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.3035	0.0111
Toxoplasma gondii	AGC kinase	0.0091	1	0.5
Loa Loa (eye worm)	SRC-1	0.0041	0.4157	0.415
Schistosoma mansoni	tyrosine kinase	0.0009	0.0475	0.0737
Echinococcus granulosus	protein kinase c iota type	0.0031	0.3035	0.4697
Entamoeba histolytica	protein kinase, putative	0.0091	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.4157	0.6441
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0031	0.3035	0.4697
Echinococcus granulosus	nervana 2	0.006	0.6369	0.9878
Brugia malayi	SRC-1	0.0041	0.4157	0.415
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0342	0.033
Echinococcus multilocularis	protein kinase c epsilon type	0.0031	0.3035	0.4697
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.3035	0.4707
Echinococcus multilocularis	rac serine:threonine kinase	0.0061	0.6447	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0031	0.3035	0.4697
Schistosoma mansoni	tyrosine kinase	0.0041	0.4157	0.6447
Schistosoma mansoni	serine/threonine-protein kinase	0.0061	0.6447	1
Echinococcus granulosus	growth factor receptor bound protein 2	0.0008	0.0342	0.0513
Echinococcus multilocularis	protein kinase c iota type	0.0031	0.3035	0.4697
Brugia malayi	protein kinase C II.	0.0031	0.3035	0.3026
Loa Loa (eye worm)	hypothetical protein	0.0031	0.3035	0.3026
Brugia malayi	Protein kinase domain containing protein	0.0031	0.3035	0.3026
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0037	0.3693	0.5721
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0041	0.4157	0.6441
Echinococcus granulosus	c src tyrosine kinase	0.0009	0.0475	0.072
Echinococcus granulosus	Glutaredoxin protein 5	0.006	0.6369	0.9878
Echinococcus granulosus	Protein kinase C brain isozyme	0.0031	0.3035	0.4697
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0031	0.3035	0.4697
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0036	0.356	0.5513
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0036	0.356	0.5513
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0061	0.6447	1
Trichomonas vaginalis	AGC family protein kinase	0.0091	1	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0031	0.3035	0.3026
Schistosoma mansoni	growth factor receptor-bound protein	0.0008	0.0342	0.053
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.4157	0.6441
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0031	0.3035	0.4697
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.3035	0.4707
Echinococcus granulosus	serine/threonine protein kinase	0.0061	0.6447	1
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0061	0.6447	1
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.3035	0.0111
Echinococcus granulosus	nervana 2	0.006	0.6369	0.9878
Onchocerca volvulus		0.0005	0.0012	0.5
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0041	0.4157	0.6441
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0031	0.3035	0.3026
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0042	0.4235	0.6563
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0008	0.0342	0.033
Trichomonas vaginalis	AGC family protein kinase	0.0091	1	1
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0061	0.6447	0.5
Echinococcus granulosus	tyrosine protein kinase HCK	0.0033	0.3218	0.4982
Brugia malayi	Tyrosine-protein kinase abl-1	0.0009	0.0475	0.0464
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0061	0.6447	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.0037	0.3693	0.5721
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.3035	0.4707
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0061	0.6447	0.5
Schistosoma mansoni	adapter molecule crk	0.0008	0.0342	0.053
Trichomonas vaginalis	AGC family protein kinase	0.0091	1	1
Echinococcus multilocularis	serine threonine protein kinase	0.0031	0.3035	0.4697
Brugia malayi	Variant SH3 domain containing protein	0.0008	0.0342	0.033
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.3035	0.0111
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0008	0.0342	0.0513
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.3035	0.0111
Brugia malayi	Protein kinase domain containing protein	0.0031	0.3035	0.3026
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0041	0.4157	0.6441
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0031	0.3035	0.4697
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0009	0.0475	0.072
Echinococcus multilocularis	nervana 2	0.006	0.6369	0.9878
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.4157	0.6441
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0031	0.3035	0.3026
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0009	0.0475	0.072
Giardia lamblia	Kinase, AGC PKA	0.0061	0.6447	0.5
Schistosoma mansoni	atypical protein kinase C	0.0031	0.3035	0.4707
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0031	0.3035	0.4697
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0037	0.3693	0.5721
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0041	0.4157	0.6441
Schistosoma mansoni	tyrosine kinase	0.0009	0.0475	0.0737
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0031	0.3035	0.4697
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0041	0.4157	0.6441
Schistosoma mansoni	nck2/grb4	0.0008	0.0342	0.053
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0041	0.4157	0.6441
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.3035	0.4707
Brugia malayi	protein-tyrosine kinase	0.0037	0.3693	0.3686
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.3035	0.4707
Trypanosoma cruzi	Protein kinase B	0.0061	0.6447	0.5
Schistosoma mansoni	growth factor receptor-bound protein	0.0008	0.0342	0.053
Brugia malayi	Hr1 repeat family protein	0.0031	0.3035	0.3026
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0041	0.4157	0.6441
Onchocerca volvulus		0.0005	0.0012	0.5
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0091	1	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0091	1	1
Entamoeba histolytica	protein kinase, putative	0.0091	1	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0031	0.3035	0.4697
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0033	0.3218	0.4982
Entamoeba histolytica	protein kinase, putative	0.0033	0.3218	0.321
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.006	0.6369	0.9878
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0061	0.6447	0.6443
Echinococcus multilocularis	c src tyrosine kinase	0.0009	0.0475	0.072
Echinococcus multilocularis	Glutaredoxin protein 5	0.006	0.6369	0.9878
Loa Loa (eye worm)	TK protein kinase	0.0033	0.3218	0.321
Onchocerca volvulus		0.0005	0.0012	0.5
Schistosoma mansoni	tyrosine kinase	0.0041	0.4157	0.6447
Loa Loa (eye worm)	TK protein kinase	0.0037	0.3693	0.3686
Schistosoma mansoni	serine/threonine kinase	0.0031	0.3035	0.4707
Brugia malayi	Variant SH3 domain containing protein	0.0008	0.0342	0.033
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.006	0.6369	0.9878
Schistosoma mansoni	tyrosine kinase	0.0005	0.0012	0.0018
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0091	1	1
Echinococcus granulosus	tyrosine kinase	0.0037	0.3693	0.5721
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0041	0.4157	0.6441
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0041	0.4157	0.6441

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 901786