TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 329.398 | Formula: C20H19N5
H donors: 2 H acceptors: 2 LogP: 2.96 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NCCNc1ccn2c(n1)c(cn2)c1cccc(c1)c1ccccc1
InChi: 1S/C20H19N5/c21-10-11-22-19-9-12-25-20(24-19)18(14-23-25)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-9,12-14H,10-11,21H2,(H,22,24)
InChiKey: MESLRIMNHFRXEO-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	Pim-2 proto-oncogene, serine/threonine kinase	Starlite/ChEMBL	References
Homo sapiens	Pim-1 proto-oncogene, serine/threonine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04702 proto-oncogene serine/threonine-protein kinase Pim-1, putative	Get druggable targets OG5_134863	All targets in OG5_134863
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	Get druggable targets OG5_134863	All targets in OG5_134863
Onchocerca volvulus	Serine\/threonine protein kinase homolog	Get druggable targets OG5_134863	All targets in OG5_134863
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	Get druggable targets OG5_134863	All targets in OG5_134863
Loa Loa (eye worm)	CAMK/PIM protein kinase	Get druggable targets OG5_134863	All targets in OG5_134863
Brugia malayi	Serine/threonine-protein kinase Pim-3	Get druggable targets OG5_134863	All targets in OG5_134863
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_134863	All targets in OG5_134863
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_134863	All targets in OG5_134863
Loa Loa (eye worm)	CAMK/PIM protein kinase	Get druggable targets OG5_134863	All targets in OG5_134863

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	protein lipid droplet kinase (LDK)	Pim-2 proto-oncogene, serine/threonine kinase	311 aa	278 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0	0.5
Trichomonas vaginalis	STE family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TK family protein kinase	0.0057	0	0.5
Trypanosoma brucei	protein kinase, putative	0.0058	0.0003	1
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Leishmania major	protein kinase, putative	0.0058	0.0003	1
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0193	0.0386	0.0392
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0193	0.0386	0.0392
Giardia lamblia	Kinase, NEK	0.0057	0	0.5
Plasmodium vivax	protein kinase, putative	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0058	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.3522	0.9838	0.9997
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.3522	0.9838	0.9997
Trichomonas vaginalis	AGC family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Echinococcus granulosus	activin receptor type	0.0058	0.0003	0.0003
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0058	0.0003	1
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.3523	0.9841	1
Trichomonas vaginalis	CAMK family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Giardia lamblia	Kinase, NEK	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0058	0.0003	1
Loa Loa (eye worm)	TKL/MLK/LZK protein kinase	0.3523	0.9841	1
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0193	0.0386	0.0386
Brugia malayi	Protein kinase domain containing protein	0.3523	0.9841	1
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Giardia lamblia	Protein 21.1	0.0057	0	0.5
Trichomonas vaginalis	protein kinase atn1, putative	0.0057	0	0.5
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0193	0.0386	1
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0058	0.0003	1
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0193	0.0386	0.0392
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0058	0.0003	0.0003
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.0057	0	0.5
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.0057	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.3523	0.9841	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0058	0.0003	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Schistosoma mansoni	protein kinase	0.0058	0.0003	0.0003
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Echinococcus multilocularis	activin receptor type	0.0058	0.0003	0.0003
Giardia lamblia	Kinase	0.0057	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0057	0	0.5
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0058	0.0003	0.0003
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Schistosoma mansoni	protein kinase	0.0058	0.0003	0.0003
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0058	0.0003	1
Trichomonas vaginalis	protein tyrosine kinase, putative	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0193	0.0386	0.0392
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0193	0.0386	0.0392
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0058	0.0003	1
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0057	0	0.5
Schistosoma mansoni	protein kinase	0.0058	0.0003	0.0003
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0193	0.0386	0.0392

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10 nM	Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF assay	ChEMBL.	24091081
IC50 (binding)	= 137 nM	Inhibition of Pim2 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF assay	ChEMBL.	24091081

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: CHEMBL2442307

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 1790299