TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 249.31 | Formula: C16H15N3
H donors: 1 H acceptors: 1 LogP: 3.47 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc2c(c1)CN(CC2)c1nc2c([nH]1)cccc2
InChi: 1S/C16H15N3/c1-2-6-13-11-19(10-9-12(13)5-1)16-17-14-7-3-4-8-15(14)18-16/h1-8H,9-11H2,(H,17,18)
InChiKey: IZMMNYOCEHWHMF-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Small conductance calcium-activated potassium channel protein 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	expressed protein	Get druggable targets OG5_130097	All targets in OG5_130097
Echinococcus granulosus	small conductance calcium activated potassium	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	Small conductance calcium-activated potassium channel protein, putative	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	IPR011996,SK channel region,domain-containing	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	Small conductance calcium-activated potassium channel protein, putative	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma mansoni	calcium-activated potassium channel	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	ko:K01047 phospholipase A2 [EC3.1.1.4], putative	Get druggable targets OG5_130097	All targets in OG5_130097
Echinococcus multilocularis	small conductance calcium activated potassium	Get druggable targets OG5_130097	All targets in OG5_130097
Schistosoma japonicum	ko:K04942 potassium intermediate/small conductance calcium-activated channel,, putative	Get druggable targets OG5_130097	All targets in OG5_130097
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130097	All targets in OG5_130097
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130097	All targets in OG5_130097

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
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0213	0.3904	0.3904
Echinococcus multilocularis	Zinc finger, PHD finger	0.0041	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0478	0.9824	0.9824
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0074	0.0806	0.0806
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0252	0.4782	0.4782
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0074	0.0817	0.0857
Entamoeba histolytica	protein kinase, putative	0.0486	1	1
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0074	0.0806	0.0806
Echinococcus multilocularis	dual specificity	0.0067	0.0644	0.0644
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0041	0.0082	0.0082
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0041	0.0082	0.0086
Echinococcus granulosus	dual specificity	0.0067	0.0644	0.0644
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0106	0.1531	0.1531
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0312	0.6126	0.6094
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0106	0.1531	0.1607
Plasmodium vivax	serine/threonine kinase-1, putative	0.0465	0.9526	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0041	0.0082	0.0086
Brugia malayi	Protein kinase domain containing protein	0.0085	0.1057	0.0984
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0486	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0252	0.4782	0.4782
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0041	0.0082	0.0086
Echinococcus granulosus	hypothetical protein	0.0457	0.935	0.935
Schistosoma mansoni	hypothetical protein	0.021	0.3844	0.3844
Entamoeba histolytica	protein kinase, putative	0.0486	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0106	0.1531	0.1607
Loa Loa (eye worm)	phosphatidylinositol 3	0.0097	0.1321	0.1321
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0106	0.1531	0.1461
Loa Loa (eye worm)	phosphatidylinositol 3	0.0187	0.3333	0.3333
Loa Loa (eye worm)	STE/STE11/MEKK2 protein kinase	0.0085	0.1057	0.1057
Trichomonas vaginalis	CMGC family protein kinase	0.0067	0.0644	0.0676
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0041	0.0082	0.0082
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0041	0.0082	0.0086
Giardia lamblia	Kinase, CMGC DYRK	0.0067	0.0644	0.0676
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0041	0.0082	0.0082
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0041	0.0082	0.0082
Giardia lamblia	Kinase, CMGC CLK	0.0465	0.9526	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0252	0.4782	0.4782
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0067	0.0644	0.0676
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0465	0.9526	0.9526
Trichomonas vaginalis	CMGC family protein kinase	0.0067	0.0644	0.0676
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0041	0.0082	0.0082
Schistosoma mansoni	calcium-activated potassium channel	0.021	0.3844	0.3844
Echinococcus granulosus	small conductance calcium activated potassium	0.021	0.3844	0.3844
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0486	1	1
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0465	0.9526	0.9526
Loa Loa (eye worm)	hypothetical protein	0.0478	0.9824	0.9824
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0187	0.3333	0.3333
Loa Loa (eye worm)	hypothetical protein	0.0457	0.935	0.935
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0252	0.4782	0.4782
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0041	0.0082	0.0082
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0486	1	1
Onchocerca volvulus		0.0085	0.1057	0.5
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0067	0.0644	0.0644
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0067	0.0644	0.0644
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0465	0.9526	0.9526
Plasmodium falciparum	protein serine/threonine kinase-1	0.0465	0.9526	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0141	0.2304	0.2304
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0041	0.0082	0.0082
Trichomonas vaginalis	CMGC family protein kinase	0.0067	0.0644	0.0676
Trichomonas vaginalis	CMGC family protein kinase	0.0067	0.0644	0.0676
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0153	0.256	0.2688
Entamoeba histolytica	protein kinase domain containing protein	0.0067	0.0644	0.0644
Schistosoma mansoni	calcium-activated potassium channel	0.0136	0.2182	0.2182
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0252	0.4782	0.4739
Loa Loa (eye worm)	hypothetical protein	0.021	0.3844	0.3844
Schistosoma mansoni	serine/threonine protein kinase	0.0486	1	1
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0465	0.9526	0.9526
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0588	0.0588
Echinococcus multilocularis	dual specificity	0.0067	0.0644	0.0644
Echinococcus multilocularis	dual specificity	0.0067	0.0644	0.0644
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0041	0.0082	0.0086
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0041	0.0082	0.0082
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0208	0.3789	0.3789
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0041	0.0082	0.0082
Schistosoma mansoni	serine/threonine protein kinase	0.0465	0.9526	0.9526
Echinococcus granulosus	dual specificity	0.0067	0.0644	0.0644
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0187	0.0187
Echinococcus multilocularis		0.0457	0.935	0.935
Entamoeba histolytica	hypothetical protein	0.0486	1	1
Echinococcus multilocularis	dual specificity	0.0486	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0252	0.4782	0.502
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0041	0.0082	0.0086
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0041	0.0082	0.0082
Entamoeba histolytica	protein kinase domain containing protein	0.0486	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0106	0.1531	0.1531
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0041	0.0082	0.0082
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0486	1	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0252	0.4782	0.502
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0307	0.6011	0.6011
Leishmania major	protein kinase, putative	0.0465	0.9526	0.9526
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0751	0.0751
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0252	0.4782	0.4782
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0486	1	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0465	0.9526	0.9526
Trichomonas vaginalis	CMGC family protein kinase	0.0067	0.0644	0.0676
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0067	0.0644	0.0567
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0644	0.0644
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0465	0.9526	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.204	0.204
Echinococcus granulosus	dual specificity	0.0067	0.0644	0.0644
Echinococcus granulosus	dual specificity protein kinase clk2	0.0465	0.9526	0.9526
Entamoeba histolytica	hypothetical protein	0.0187	0.3333	0.3333
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0041	0.0082	0.0086
Brugia malayi	Protein kinase domain containing protein	0.0465	0.9526	0.9522
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0153	0.256	0.2688
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0067	0.0644	0.0644
Brugia malayi	MH2 domain containing protein	0.0129	0.204	0.1974
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0106	0.1531	0.1531
Leishmania major	protein kinase, putative	0.0465	0.9526	0.9526
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0252	0.4782	0.502
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0106	0.1531	0.1607
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0465	0.9526	0.9526
Loa Loa (eye worm)	phosphatidylinositol 3-kinase catalytic subunit gamma	0.0106	0.153	0.153
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0465	0.9526	0.9526
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0041	0.0082	0.0082
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0088	0.1111	0.1166
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0665	0.0665
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0307	0.6011	0.6011
Trichomonas vaginalis	CMGC family protein kinase	0.0465	0.9526	1
Trichomonas vaginalis	CMGC family protein kinase	0.0067	0.0644	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0307	0.6011	0.6011
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0041	0.0082	0.0082
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.204	0.204
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0097	0.1321	0.1321
Schistosoma mansoni	protein kinase	0.0074	0.0806	0.0806
Echinococcus multilocularis	small conductance calcium activated potassium	0.021	0.3844	0.3844
Echinococcus granulosus	dual specificity	0.0486	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0465	0.9526	0.9526
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0243	0.4572	0.4572
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0067	0.0644	0.0644
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0465	0.9526	0.9526
Entamoeba histolytica	protein kinase, putative	0.0067	0.0644	0.0644
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0252	0.4782	0.4782

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 14 uM	Inhibition of Wistar rat recombinant SK3 channel expressed in HEK293 cells by whole cell patch clamp technique	ChEMBL.	18998663

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: CHEMBL539935

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 1038008