TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.476 | Formula: C26H20N6O2
H donors: 2 H acceptors: 5 LogP: 4.04 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)c1nccc(c1)Oc1ccc2c(c1)cnc(n2)Nc1ccc(cc1)c1cccnc1
InChi: 1S/C26H20N6O2/c1-27-25(33)24-14-22(10-12-29-24)34-21-8-9-23-19(13-21)16-30-26(32-23)31-20-6-4-17(5-7-20)18-3-2-11-28-15-18/h2-16H,1H3,(H,27,33)(H,30,31,32)
InChiKey: GKKSHWWDZSJINW-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
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0034	0.0091	0.0091
Loa Loa (eye worm)	plexin A	0.0021	0.0015	0.0034
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0019	0	0.5
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0073	0.0315	0.0695
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus multilocularis	transfer RNA-Phe	0.0025	0.0038	0.0038
Loa Loa (eye worm)	CAMK protein kinase	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0019	0	0.5
Onchocerca volvulus		0.0025	0.0038	0.1481
Giardia lamblia	Protein 21.1	0.0019	0	0.5
Entamoeba histolytica	tyrosin kinase, putative	0.0022	0.0019	1
Leishmania major	protein kinase, putative	0.0019	0	0.5
Echinococcus multilocularis	roundabout 2	0.0025	0.0038	0.0038
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trypanosoma brucei	protein kinase, putative	0.0019	0	0.5
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0025	0.0038	0.0085
Schistosoma mansoni	cell adhesion molecule	0.0033	0.0082	0.0333
Entamoeba histolytica	hypothetical protein	0.0019	0.0004	0.2
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Schistosoma mansoni	titin	0.0025	0.0038	0.0155
Plasmodium falciparum	tyrosine kinase-like protein	0.0019	0	0.5
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0025	0.0038	0.0155
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Schistosoma mansoni	hemicentin	0.0025	0.0038	0.0155
Schistosoma mansoni	hypothetical protein	0.0025	0.0038	0.0155
Leishmania major	protein kinase, putative	0.0019	0	0.5
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0028	0.0056	0.0124
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Onchocerca volvulus		0.0025	0.0038	0.1481
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus multilocularis	neuroglian	0.0027	0.0047	0.0047
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0025	0.0038	0.0038
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0025	0.0038	0.0085
Entamoeba histolytica	protein kinase domain containing protein	0.0022	0.0019	1
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0082	0.0181
Plasmodium falciparum	protein kinase, putative	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Toxoplasma gondii	protein kinase domain-containing protein	0.0019	0	0.5
Echinococcus granulosus	nephrin	0.0025	0.0038	0.0085
Entamoeba histolytica	hypothetical protein	0.0019	0.0004	0.2
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.0444	0.247	0.5449
Trichomonas vaginalis	AGC family protein kinase	0.0019	0	0.5
Schistosoma mansoni	nephrin	0.0025	0.0038	0.0155
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Onchocerca volvulus		0.0063	0.0255	0.9851
Loa Loa (eye worm)	TK/ROR protein kinase	0.0028	0.0056	0.0124
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus granulosus	TGF beta receptor type 1	0.0425	0.2361	0.5209
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trypanosoma brucei	Pseudokinase, putative	0.0019	0	0.5
Echinococcus granulosus	titin	0.0025	0.0038	0.0085
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0036	0.01	0.0221
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0038	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0038	0.0085
Trypanosoma cruzi	protein kinase, putative	0.0019	0	0.5
Brugia malayi	plexin A	0.0021	0.0015	0.0034
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0028	0.0056	0.0056
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trypanosoma brucei	Flagellum attachment zone protein 20	0.0019	0	0.5
Schistosoma mansoni	cell adhesion molecule	0.0025	0.0038	0.0155
Schistosoma mansoni	protein kinase	0.0425	0.2361	0.9558
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Giardia lamblia	Kinase, NEK	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0025	0.0038	0.0038
Toxoplasma gondii	STE kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Entamoeba histolytica	leucine-rich repeat domain-containing protein	0.0019	0.0004	0.2
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0038	0.0085
Entamoeba histolytica	protein kinase, putative	0.0019	0.0004	0.2
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trypanosoma cruzi	protein kinase, putative	0.0019	0	0.5
Echinococcus multilocularis	plexin a4	0.0021	0.0015	0.0015
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0025	0.0038	0.0085
Echinococcus granulosus	TGF-beta receptor type-1	0.0425	0.2361	0.5209
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0025	0.0038	0.0085
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0038	0.0085
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Schistosoma mansoni	neuroglian	0.0025	0.0038	0.0155
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0036	0.01	0.0221
Schistosoma mansoni	titin	0.0025	0.0038	0.0155
Echinococcus multilocularis	TGF beta receptor type 1	0.0425	0.2361	0.2361
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0033	0.0082	0.0181
Echinococcus granulosus	plexin a4	0.0021	0.0015	0.0034
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0019	0	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0073	0.0315	0.0695
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Brugia malayi	bone morphogenetic protein type 1 receptor	0.0444	0.247	0.5449
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0038	0.0155
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0	0.5
Plasmodium falciparum	tyrosine kinase-like protein	0.0019	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Loa Loa (eye worm)	TK protein kinase	0.0799	0.4533	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0	0.5
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0025	0.0038	0.0085
Trichomonas vaginalis	STE family protein kinase	0.0019	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0799	0.4533	1
Echinococcus multilocularis	activin receptor type	0.0444	0.247	0.247
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.0056	0.0124
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0038	0.0085
Brugia malayi	hypothetical protein	0.0033	0.0082	0.0181
Echinococcus granulosus	roundabout 2	0.0043	0.0138	0.0305
Echinococcus multilocularis	tyrosine protein kinase	0.0799	0.4533	0.4533
Schistosoma mansoni	cell adhesion molecule	0.0025	0.0038	0.0155
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Brugia malayi	Fibronectin type III domain containing protein	0.0033	0.0082	0.0181
Echinococcus multilocularis	titin	0.0025	0.0038	0.0038
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0019	0	0.5
Echinococcus granulosus	roundabout 2	0.0025	0.0038	0.0085
Schistosoma mansoni	cell adhesion molecule	0.0025	0.0038	0.0155
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0038	0.0085
Loa Loa (eye worm)	hypothetical protein	0.078	0.4424	0.9759
Echinococcus granulosus	twitchin	0.0027	0.0047	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0082	0.0181
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus multilocularis	slit 2 protein	0.0063	0.0259	0.0259
Schistosoma mansoni	ephrin receptor	0.0034	0.0091	0.0369
Echinococcus granulosus	activin receptor type	0.0444	0.247	0.5449
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.0019	0	0.5
Trichomonas vaginalis	protein kinase atn1, putative	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0047	0.0104
Schistosoma mansoni	cell adhesion molecule	0.0025	0.0038	0.0155
Echinococcus granulosus	slit 2 protein	0.0063	0.0259	0.0571
Brugia malayi	protein unc-22	0.0025	0.0038	0.0085
Toxoplasma gondii	protein kinase	0.0019	0	0.5
Giardia lamblia	Kinase, NEK	0.0019	0	0.5
Trichomonas vaginalis	protein tyrosine kinase, putative	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TK family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus granulosus	titin	0.0025	0.0038	0.0085
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0	0.5
Schistosoma mansoni	nephrin	0.0043	0.0138	0.0561
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus granulosus	roundabout 2	0.0025	0.0038	0.0085
Onchocerca volvulus		0.0025	0.0038	0.1481
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus granulosus	neuroglian	0.0025	0.0038	0.0085
Echinococcus multilocularis	roundabout 2	0.0025	0.0038	0.0038
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Leishmania major	hypothetical protein, conserved	0.0019	0	0.5
Entamoeba histolytica	hypothetical protein	0.0019	0.0004	0.2
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0019	0	0.5
Schistosoma mansoni	protein kinase	0.0444	0.247	1
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0259	0.0571
Brugia malayi	EGF-like domain containing protein	0.0063	0.0259	0.0571
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Onchocerca volvulus	Tyrosine kinase homolog	0.0028	0.0056	0.2176
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0038	0.0085
Schistosoma mansoni	tyrosine kinase	0.0028	0.0056	0.0228
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus granulosus	tyrosine protein kinase	0.0799	0.4533	1
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0019	0	0.5
Echinococcus granulosus	contactin	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Plasmodium vivax	protein kinase, putative	0.0019	0	0.5
Onchocerca volvulus	Slit protein homolog	0.0063	0.0259	1
Echinococcus granulosus	neuroglian	0.0027	0.0047	0.0104
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0047	0.0104
Echinococcus multilocularis	roundabout 2	0.0043	0.0138	0.0138
Echinococcus multilocularis	neuroglian	0.0025	0.0038	0.0038
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Giardia lamblia	Kinase	0.0019	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0025	0.0038	0.0038
Schistosoma mansoni	myosin-binding protein-related	0.0025	0.0038	0.0155
Loa Loa (eye worm)	TK protein kinase	0.0028	0.0056	0.0124
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0034	0.0091	0.0201
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0082	0.0181
Plasmodium falciparum	protein kinase, putative	0.0019	0	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0	0.5
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.0019	0	0.5
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0019	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0025	0.0038	0.0038
Loa Loa (eye worm)	projectin	0.0025	0.0038	0.0085
Trichomonas vaginalis	TKL family protein kinase	0.0019	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Papp (ADMET)	< 1 ucm/s	Apparent permeability from apical to basolateral side in human Caco2 cells	ChEMBL.	22264479

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: CHEMBL1950980

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 1610341