TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 250.295 | Formula: C16H14N2O
H donors: 0 H acceptors: 1 LogP: 2.11 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccn2c(c1)nc(cc2=O)c1ccccc1
InChi: 1S/C16H14N2O/c1-2-12-8-9-18-15(10-12)17-14(11-16(18)19)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChiKey: RXRVMSVYRMCQJP-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
Schistosoma mansoni	transient receptor potential channel	0.0017	0.00000060783	0.00000060783
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.1449	0.4129
Schistosoma mansoni	methionine-tRNA synthetase	0.0057	0.269	0.269
Schistosoma mansoni	hypothetical protein	0.0164	1	1
Echinococcus granulosus	transient receptor potential cation channel	0.0017	0.00000060783	0.00000060783
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0971	0.0971
Brugia malayi	olfactory channel protein osm-9	0.0017	0.00000060783	0.00000090764
Toxoplasma gondii	tRNA ligases class I (M) protein	0.0022	0.0298	0.1106
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.5618	0.839
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.3511	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.5618	0.839
Mycobacterium tuberculosis	Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase)	0.0057	0.269	0.5
Brugia malayi	chromobox protein homolog 3	0.0038	0.1449	0.2164
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.3511	1
Trichomonas vaginalis	methionine-tRNA synthetase, putative	0.0057	0.269	0.7663
Echinococcus multilocularis	transient receptor potential cation channel	0.0017	0.00000060783	0.00000060783
Wolbachia endosymbiont of Brugia malayi	methionyl-tRNA synthetase	0.0057	0.269	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.3511	0.5242
Schistosoma mansoni	hypothetical protein	0.0031	0.0971	0.0971
Loa Loa (eye worm)	hypothetical protein	0.003	0.0881	0.1316
Chlamydia trachomatis	leucine--tRNA ligase	0.0022	0.0298	0.5
Echinococcus multilocularis	leucyl tRNA synthetase	0.0022	0.0298	0.0298
Treponema pallidum	methionyl-tRNA synthetase	0.0022	0.0298	0.5
Schistosoma mansoni	chromobox protein	0.0069	0.3511	0.3511
Trypanosoma cruzi	methionyl-tRNA synthetase, putative	0.0057	0.269	1
Toxoplasma gondii	methionyl-tRNA synthetase	0.0057	0.269	1
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0971	0.145
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.3467	0.5178
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.5618	0.839
Loa Loa (eye worm)	hypothetical protein	0.0017	0.00000060783	0.00000090764
Echinococcus multilocularis	chromobox protein 1	0.0069	0.3511	0.3511
Chlamydia trachomatis	methionine--tRNA ligase	0.0022	0.0298	0.5
Echinococcus granulosus	methionine tRNA synthetase	0.0057	0.269	0.269
Trypanosoma brucei	methionyl-tRNA synthetase, putative	0.0057	0.269	1
Echinococcus granulosus	transient receptor potential cation channel	0.0017	0.00000060783	0.00000060783
Echinococcus multilocularis	geminin	0.0164	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.1449	0.4129
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0971	0.145
Onchocerca volvulus		0.003	0.0881	0.5345
Echinococcus multilocularis	methionine tRNA synthetase	0.0057	0.269	0.269
Giardia lamblia	Methionyl-tRNA synthetase	0.0057	0.269	1
Loa Loa (eye worm)	methionyl-tRNA synthetase	0.0057	0.269	0.4017
Schistosoma mansoni	leucyl-tRNA synthetase	0.0022	0.0298	0.0298
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.1649	0.4697
Brugia malayi	MH2 domain containing protein	0.0115	0.6697	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0682	0.1942
Echinococcus granulosus	chromobox protein 1	0.0069	0.3511	0.3511
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0298	0.0444
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.1449	0.8789
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0298	0.0444
Schistosoma mansoni	hypothetical protein	0.0068	0.3467	0.3467
Brugia malayi	Heterochromatin protein 1	0.0069	0.3511	0.5242
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	0.0022	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1449	0.2164
Echinococcus granulosus	transient receptor potential cation channel	0.0017	0.00000060783	0.00000060783
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0971	0.145
Plasmodium vivax	methionine--tRNA ligase, putative	0.0057	0.269	1
Brugia malayi	methionyl-tRNA synthetase	0.0057	0.269	0.4017
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0298	0.0444
Mycobacterium leprae	Probable methionyl-tRNA synthase MetS	0.0057	0.269	0.5
Brugia malayi	methionyl-tRNA synthetase	0.0022	0.0298	0.0444
Mycobacterium ulcerans	methionyl-tRNA synthetase	0.0057	0.269	1
Echinococcus multilocularis	transient receptor potential cation channel	0.0017	0.00000060783	0.00000060783
Onchocerca volvulus		0.0035	0.1213	0.7356
Echinococcus granulosus	GPCR family 2	0.0031	0.0971	0.0971
Brugia malayi	protein ZK524.3	0.0022	0.0298	0.0444
Echinococcus multilocularis	chromobox protein 1	0.0069	0.3511	0.3511
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0971	0.0971
Leishmania major	leucyl-tRNA synthetase, putative	0.0022	0.0298	0.1106
Schistosoma mansoni	hypothetical protein	0.0031	0.0971	0.0971
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0971	0.145
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0971	0.0971
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.1649	1
Schistosoma mansoni	chromobox protein	0.0069	0.3511	0.3511
Schistosoma mansoni	hypothetical protein	0.0031	0.0971	0.0971
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0971	0.0971
Loa Loa (eye worm)	hypothetical protein	0.0017	0.00000060783	0.00000090764
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0682	0.1942
Echinococcus granulosus	chromobox protein 1	0.0069	0.3511	0.3511
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.0022	0.0298	0.5
Schistosoma mansoni	methionine-tRNA synthetase	0.0022	0.0298	0.0298
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.1649	0.4697
Echinococcus multilocularis	transient receptor potential cation channel	0.0017	0.00000060783	0.00000060783
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.6697	1
Plasmodium falciparum	methionine--tRNA ligase	0.0057	0.269	1
Loa Loa (eye worm)	tyrosyl-tRNA synthetase	0.0035	0.1213	0.1811
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.6697	1
Treponema pallidum	leucyl-tRNA synthetase	0.0022	0.0298	0.5
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	0.0022	0.0298	0.0298
Schistosoma mansoni	transient receptor potential channel	0.0017	0.00000060783	0.00000060783
Loa Loa (eye worm)	hypothetical protein	0.0017	0.00000060783	0.00000090764
Loa Loa (eye worm)	hypothetical protein	0.01	0.5618	0.839
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0971	0.0971
Leishmania major	methionyl-tRNA synthetase, putative	0.0057	0.269	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3467	0.5178
Schistosoma mansoni	hypothetical protein	0.0164	1	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0971	0.0971

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Agonist activity at ERRalpha in mouse C2C12 cells assessed as increase in ATP5b mRNA level pretreated for 20 hrs by quantitative real-time PCR analysis	ChEMBL.	21958216
Activity (functional)		Agonist activity at ERbeta expressed in human 293FT cells assessed as increased transcriptional activity at 20 uM by dual luciferase reporter gene assay relative to control	ChEMBL.	21958216
Activity (functional)		Agonist activity at ERRalpha in mouse C2C12 cells assessed as increase in ATP5b protein level after 24 hrs by Western blot analysis	ChEMBL.	21958216
Activity (functional)		Agonist activity at ERRalpha in mouse C2C12 cells assessed as increase in fatty acid uptake using [14C]-oleic acid pretreated for 24 hrs by liquid scintillation counting	ChEMBL.	21958216
Activity (functional)		Agonist activity at ERalpha expressed in human 293FT cells assessed as increased transcriptional activity at 20 uM by dual luciferase reporter gene assay relative to control	ChEMBL.	21958216
Activity (binding)		Agonist activity at human ERRalpha ligand binding domain expressed in human 293FT cells coexpressing Gal4 DNA binding domain assessed as increased transcriptional activity after 24 hrs by dual luciferase reporter gene assay	ChEMBL.	21958216
Activity (functional)		Agonist activity at ERRgamma expressed in human 293FT cells assessed as increased transcriptional activity at 10 uM after 24 hrs by dual luciferase reporter gene assay	ChEMBL.	21958216
Activity (functional)		Agonist activity at in mouse C2C12 cells ERRalpha assessed as increase in PDK4 protein level after 24 hrs by Western blot analysis	ChEMBL.	21958216
Activity (binding)		Agonist activity at human ERRalpha ligand binding domain expressed in human 293FT cells coexpressing with Gal4 DNA binding domain assessed as increased transcriptional activity at 1 to 5 uM after 24 hrs by dual luciferase reporter gene assay in presence of kaempferol	ChEMBL.	21958216
Activity (functional)		Agonist activity at ERRalpha in mouse C2C12 cells assessed as increase in insulin-stimulated glucose uptake using [1,2-3H]-2-deoxy-D-glucose treated 24 hrs before insulin challenge measured after 15 mins by liquid scintillation counting	ChEMBL.	21958216
Activity (functional)		Agonist activity at ERRalpha in mouse C2C12 cells assessed as increase in PDK4 mRNA level pretreated for 20 hrs by quantitative real-time PCR analysis	ChEMBL.	21958216
Activity (functional)		Agonist activity at ERRalpha in mouse C2C12 cells assessed as increase in MCAD mRNA level pretreated for 20 hrs by quantitative real-time PCR analysis	ChEMBL.	21958216
Activity (functional)		Agonist activity at ERRbeta expressed in human 293FT cells assessed as increase of transcriptional activity at 10 uM after 24 hrs by dual luciferase reporter gene assay	ChEMBL.	21958216
FC (binding)	= 2.7	Agonist activity at human ERRalpha ligand binding domain expressed in human 293FT cells coexpressing Gal4 DNA binding domain assessed as increased transcriptional activity at 10 uM after 24 hrs by dual luciferase reporter gene assay relative to control	ChEMBL.	21958216

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: CHEMBL1916507

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1563465