TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 279.34 | Formula: C16H17N5
H donors: 0 H acceptors: 4 LogP: 2.41 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: N#CC(c1cc(Cn2ncnc2)cc(c1)C(C#N)(C)C)C
InChi: 1S/C16H17N5/c1-12(7-17)14-4-13(8-21-11-19-10-20-21)5-15(6-14)16(2,3)9-18/h4-6,10-12H,8H2,1-3H3
InChiKey: LXXANTDQIIXQBZ-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		0.0009	0	0.5
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0133	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.0133	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.1021	1	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0133	0.0133
Onchocerca volvulus	Protein kinase homolog	0.0009	0	0.5
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0133	0.0133
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.1021	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1021	1	1
Onchocerca volvulus		0.0009	0	0.5
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0133	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.1021	1	1
Trypanosoma brucei	protein kinase, putative	0.1021	1	1
Onchocerca volvulus		0.0009	0	0.5
Schistosoma mansoni	ap endonuclease	0.0023	0.0133	0.0133
Onchocerca volvulus		0.0009	0	0.5
Toxoplasma gondii	exonuclease III APE	0.0023	0.0133	0.0133
Onchocerca volvulus		0.0009	0	0.5
Echinococcus granulosus	mitogen activated protein kinase 3	0.1021	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1021	1	1
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus	Asator homolog	0.0009	0	0.5
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0133	0.0133
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus	Kinase homolog	0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.1021	1	1
Onchocerca volvulus		0.0009	0	0.5
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0133	0.0133
Echinococcus granulosus	mitogen activated protein kinase	0.1021	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0133	0.0133
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0133	0.0133
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0009	0	0.5
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0133	0.0133
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.1021	1	1
Chlamydia trachomatis	serine/threonine-protein kinase	0.0009	0	0.5
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.1021	1	1
Onchocerca volvulus		0.0009	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase	0.1021	1	1
Onchocerca volvulus		0.0009	0	0.5
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.1021	1	1
Mycobacterium leprae	Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B)	0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Chlamydia trachomatis	serine/threonine protein kinase	0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0133	0.0133
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.1021	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.1021	1	1
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Schistosoma mansoni	ap endonuclease	0.0023	0.0133	0.0133
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0133	1
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0133	0.0133
Mycobacterium leprae	PROBABLE TRANSMEMBRANE SERINE/THREONINE-PROTEIN KINASE L PKNL (PROTEIN KINASE L) (STPK L)	0.0009	0	0.5
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0133	1
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase 3	0.1021	1	1
Onchocerca volvulus		0.0009	0	0.5
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0133	0.5
Onchocerca volvulus		0.0009	0	0.5
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.1021	1	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0133	0.0133
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.1021	1	1
Onchocerca volvulus		0.0009	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.1021	1	1
Chlamydia trachomatis	serine/threonine protein kinase	0.0009	0	0.5
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0133	1
Onchocerca volvulus		0.0009	0	0.5
Giardia lamblia	Kinase, CMGC MAPK	0.1021	1	1
Onchocerca volvulus		0.0009	0	0.5
Mycobacterium leprae	Probable transmembrane serine/threonine-protein kinase A PknA (protein kinase A) (STPK A)	0.0009	0	0.5
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0133	0.0133
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5
Onchocerca volvulus		0.0009	0	0.5

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: CHEMBL3544904

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 2074154