TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 265.313 | Formula: C15H15N5
H donors: 2 H acceptors: 3 LogP: 1 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NCCNc1nc(cc2c1cncc2)c1ccncc1
InChi: 1S/C15H15N5/c16-4-8-19-15-13-10-18-7-3-12(13)9-14(20-15)11-1-5-17-6-2-11/h1-3,5-7,9-10H,4,8,16H2,(H,19,20)
InChiKey: WMHOCZAKJFCHBH-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	protein kinase C, eta	Starlite/ChEMBL	References
Homo sapiens	protein kinase C, beta	Starlite/ChEMBL	References
Homo sapiens	protein kinase C, epsilon	Starlite/ChEMBL	References
Homo sapiens	protein kinase C, delta	Starlite/ChEMBL	References
Homo sapiens	protein kinase C, alpha	Starlite/ChEMBL	References
Homo sapiens	protein kinase C, theta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	protein kinase c epsilon type	Get druggable targets OG5_129314	All targets in OG5_129314
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Schistosoma japonicum	IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus multilocularis	Protein kinase C, brain isozyme	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Echinococcus multilocularis	serine threonine protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Protein kinase C alpha type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129482	All targets in OG5_129482
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_129314	All targets in OG5_129314
Brugia malayi	protein kinase C II.	Get druggable targets OG5_129314	All targets in OG5_129314
Schistosoma japonicum	Protein kinase C epsilon type, putative	Get druggable targets OG5_129314	All targets in OG5_129314
Schistosoma japonicum	Calcium-dependent protein kinase C, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Echinococcus granulosus	serine:threonine protein kinase N2	Get druggable targets OG5_129314	All targets in OG5_129314
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Schistosoma japonicum	Protein kinase C gamma type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus multilocularis	protein kinase c epsilon type	Get druggable targets OG5_129314	All targets in OG5_129314
Onchocerca volvulus		Get druggable targets OG5_132502	All targets in OG5_132502
Echinococcus granulosus	Protein kinase C brain isozyme	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132502	All targets in OG5_132502
Candida albicans	protein kinase C similar to S. cerevisiae PKC1 (YBL105C)	Get druggable targets OG5_129482	All targets in OG5_129482
Brugia malayi	Protein kinase c protein 2	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus granulosus	protein kinase C gamma type	Get druggable targets OG5_129482	All targets in OG5_129482
Candida albicans	protein kinase C similar to S. cerevisiae PKC1 (YBL105C)	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	ko:K06068 novel protein kinase C, putative	Get druggable targets OG5_129314	All targets in OG5_129314
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129314	All targets in OG5_129314
Echinococcus multilocularis	serine:threonine protein kinase N2	Get druggable targets OG5_129314	All targets in OG5_129314
Echinococcus multilocularis	RNA directed DNA polymerase	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	Protein kinase C alpha type, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus granulosus	RNA directed DNA polymerase	Get druggable targets OG5_129482	All targets in OG5_129482
Echinococcus multilocularis	telomerase reverse transcriptase subunit	Get druggable targets OG5_129482	All targets in OG5_129482
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	Get druggable targets OG5_129314	All targets in OG5_129314
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129482	All targets in OG5_129482

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
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.1659	0.1623
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.012	0.1615	0.239
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0216	0.4486	0.6756
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0287	0.662	0.6605
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.587	1
Loa Loa (eye worm)	hypothetical protein	0.0143	0.2301	0.2267
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.012	0.1615	0.239
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074
Onchocerca volvulus		0.0333	0.7996	1
Toxoplasma gondii	AGC kinase	0.0067	0.0043	0.5
Echinococcus multilocularis	protein kinase c epsilon type	0.0287	0.662	1
Loa Loa (eye worm)	hypothetical protein	0.0381	0.9413	0.941
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.3177	0.5412
Echinococcus granulosus	Protein kinase C brain isozyme	0.0216	0.4486	0.6756
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.3177	0.5412
Loa Loa (eye worm)	hypothetical protein	0.0333	0.7996	0.7987
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.3177	0.5412
Schistosoma mansoni	serine/threonine protein kinase	0.0216	0.4486	0.6756
Echinococcus multilocularis	RNA directed DNA polymerase	0.0095	0.0884	0.1278
Echinococcus granulosus	protein kinase c epsilon type	0.0287	0.662	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.1659	0.1623
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.587	1
Schistosoma mansoni	lipoxygenase	0.012	0.1615	0.239
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0262	0.587	0.5852
Echinococcus multilocularis	serine threonine protein kinase	0.0168	0.3069	0.4601
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.3177	0.5412
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.3454	0.5884
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0234	0.5022	0.757
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0067	0.0043	0.5
Brugia malayi	protein kinase C II.	0.0287	0.662	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0884	0.0844
Echinococcus multilocularis	protein kinase c iota type	0.0115	0.146	0.2155
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.587	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0168	0.306	1
Echinococcus granulosus	protein kinase C gamma type	0.0168	0.3069	0.4601
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.587	1
Schistosoma mansoni	atypical protein kinase C	0.0115	0.146	0.2155
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074
Brugia malayi	Protein kinase c protein 2	0.015	0.2525	0.3774
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.3177	0.5412
Schistosoma mansoni	serine/threonine protein kinase	0.0216	0.4486	0.6756
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0333	0.7996	0.7987
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.587	1
Schistosoma mansoni	serine/threonine protein kinase	0.0287	0.662	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.3177	0.5412
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.587	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0095	0.0884	0.1278
Echinococcus granulosus	serine:threonine protein kinase N2	0.0168	0.306	0.4588
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.3454	0.5884
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0262	0.587	0.886
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0095	0.0884	0.1278
Echinococcus granulosus	protein kinase c iota type	0.0115	0.146	0.2155
Schistosoma mansoni	lipoxygenase	0.0084	0.0539	0.0754
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074
Brugia malayi	MH2 domain containing protein	0.0121	0.1659	0.2457
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0103	0.1108	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0333	0.7996	0.7987
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.3177	0.5412
Trichomonas vaginalis	AGC family protein kinase	0.0067	0.0043	0.0074

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 1000 nM	Inhibition of recombinant human PKCalpha assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay	ChEMBL.	22078216
IC50 (binding)	> 1000 nM	Inhibition of recombinant human PKCbeta1 assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay	ChEMBL.	22078216
IC50 (binding)	> 1000 nM	Inhibition of recombinant human PKCdelta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay	ChEMBL.	22078216
IC50 (binding)	> 1000 nM	Inhibition of recombinant human PKCepsilon assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay	ChEMBL.	22078216
IC50 (binding)	> 1000 nM	Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay	ChEMBL.	22078216
IC50 (binding)	> 1000 nM	Inhibition of recombinant human PKCtheta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay	ChEMBL.	22078216

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: CHEMBL2147533

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1690436