TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 232.235 | Formula: C12H12N2O3
H donors: 0 H acceptors: 2 LogP: 1.32 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=NN1C2CC(C1c1c2cccc1)C(=O)OC
InChi: 1S/C12H12N2O3/c1-17-12(15)9-6-10-7-4-2-3-5-8(7)11(9)14(10)13-16/h2-5,9-11H,6H2,1H3
InChiKey: CTUCTEIAXHJZGB-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
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0037	0.0667	0.1254
Loa Loa (eye worm)	hypothetical protein	0.0161	0.4551	0.856
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0025	0.0285	0.1497
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0037	0.0667	0.1254
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0054	0.1199	0.2255
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0037	0.0667	0.1254
Toxoplasma gondii	protein kinase G AGC kinase family member PKG	0.0025	0.0285	0.1497
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0001	0.0001
Onchocerca volvulus		0.0159	0.4469	1
Leishmania major	protein kinase, putative	0.0025	0.0285	0.9928
Echinococcus multilocularis	cAMP dependent protein kinase type II regulatory	0.0025	0.0285	0.0536
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1901	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.034	0.1786
Leishmania major	hypothetical protein, conserved	0.0025	0.0287	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.1081	0.5562
Plasmodium falciparum	cGMP-dependent protein kinase	0.0025	0.0285	0.1497
Leishmania major	hypothetical protein, conserved	0.0025	0.0285	0.9928
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1038	0.1952
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1901	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.1901	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0025	0.0285	0.0488
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0557	0.1048
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0025	0.0285	0.0536
Loa Loa (eye worm)	pip kinase 2	0.0159	0.4469	0.8407
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0025	0.0285	0.0488
Plasmodium falciparum	cAMP-dependent protein kinase regulatory subunit	0.0025	0.0285	0.1497
Echinococcus multilocularis	patatin phospholipase domain containing protein	0.0025	0.0285	0.0536
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0159	0.4469	0.7641
Schistosoma mansoni	camp-dependent protein kinase regulatory chain	0.0025	0.0285	0.0488
Schistosoma mansoni	cyclic nucleotide-gated ion channel	0.0025	0.0285	0.0488
Mycobacterium tuberculosis	Probable conserved transmembrane transport protein	0.0025	0.0285	0.0284
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.1081	0.108
Trypanosoma brucei	protein kinase A regulatory subunit	0.0025	0.0285	0.9928
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0037	0.0667	0.114
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.0025	0.0285	0.0488
Echinococcus granulosus	cGMP dependent protein kinase	0.0025	0.0285	0.0536
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.1081	0.2033
Trypanosoma brucei	Flagellar Member 6	0.0025	0.0285	0.9928
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.0667	0.114
Schistosoma mansoni	voltage-gated potassium channel	0.0203	0.5849	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1901	0.1663
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0174	0.4935	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0037	0.0667	0.1258
Echinococcus granulosus	hyperpolarization activated cyclic	0.0037	0.0667	0.1254
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0287	0.1507
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1038	0.1952
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0026	0.034	0.1557
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0025	0.0285	0.0536
Leishmania major	hypothetical protein, conserved	0.0025	0.0285	0.9928
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1901	1
Mycobacterium leprae	Conserved hypothetical protein	0.0025	0.0285	0.126
Schistosoma mansoni	hypothetical protein	0.0033	0.0557	0.0953
Schistosoma mansoni	voltage-gated potassium channel	0.0054	0.1199	0.205
Mycobacterium tuberculosis	Conserved protein	0.0025	0.0285	0.0284
Trypanosoma cruzi	protein kinase A regulatory subunit	0.0025	0.0285	0.9928
Giardia lamblia	CAMP-dependent protein kinase regulatory chain	0.0025	0.0285	0.5
Plasmodium vivax	rap guanine nucleotide exchange factor, putative	0.0025	0.0285	0.1497
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0037	0.0667	0.1254
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.0025	0.0285	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0285	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0557	0.1048
Trichomonas vaginalis	cAMP-dependent protein kinase regulatory subunit, putative	0.0025	0.0285	0.0477
Trypanosoma brucei	cAMP response protein 1, putative	0.0025	0.0285	0.9928
Mycobacterium tuberculosis	Probable glutamine-transport ATP-binding protein ABC transporter GlnQ	0.0025	0.0285	0.0284
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0287	0.1507
Brugia malayi	Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative	0.0025	0.0285	0.0536
Trypanosoma cruzi	regulatory subunit of protein kinase a-like protein, putative	0.0025	0.0285	0.9928
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.0025	0.0285	0.9928
Schistosoma mansoni	hypothetical protein	0.0017	0.0052	0.0089
Toxoplasma gondii	cAMP-dependent protein kinase regulatory subunit	0.0025	0.0285	0.1497
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1038	0.1952
Trypanosoma cruzi	Flagellar Member 6	0.0025	0.0285	0.9928
Leishmania major	protein kinase, putative	0.0025	0.0285	0.9928
Brugia malayi	Egg laying defective protein 4	0.0025	0.0285	0.0536
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.1901	0.325
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0025	0.0285	0.0477
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0174	0.4935	1
Echinococcus multilocularis	expressed conserved protein	0.0025	0.0285	0.0536
Brugia malayi	Pip kinase protein 2	0.0159	0.4469	0.8407
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.1081	0.108
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0186	0.5316	1
Echinococcus granulosus	voltage gated potassium channel	0.0054	0.1199	0.2255
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0037	0.0667	0.114
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0025	0.0285	0.0284
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0054	0.1199	0.2255
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0037	0.0667	0.114
Loa Loa (eye worm)	cAMP-dependent protein kinase regulatory subunit	0.0025	0.0285	0.0536
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0037	0.0667	0.1254
Toxoplasma gondii	hypothetical protein	0.0026	0.034	0.1786
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0037	0.0667	0.1254
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0186	0.5316	1
Trypanosoma cruzi	cAMP response protein 1	0.0025	0.0285	0.9928
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0025	0.0285	0.0536
Echinococcus granulosus	cAMP dependent protein kinase type II regulatory	0.0025	0.0285	0.0536
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0287	0.1507
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0037	0.0667	0.1254
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0285	0.0488
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0025	0.0285	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0285	0.0536
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0037	0.0667	0.114
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0159	0.4469	0.8407
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0025	0.0285	0.1497
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.0025	0.0285	0.0488
Schistosoma mansoni	hypothetical protein	0.0025	0.0285	0.0488
Brugia malayi	Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog	0.0025	0.0285	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1199	0.2255
Echinococcus granulosus	single minded 2	0.0017	0.0052	0.0098
Trypanosoma cruzi	regulatory subunit of protein kinase a-like protein, putative	0.0025	0.0285	0.9928
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0287	1
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.0025	0.0285	0.9928
Trypanosoma cruzi	cyclic nucleotide-binding domain containing protein, putative	0.0025	0.0285	0.9928
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1901	0.3576
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0037	0.0667	0.1258
Schistosoma mansoni	60S ribosomal protein L21	0.0029	0.0434	0.0741
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.034	0.034
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0037	0.0667	0.1254
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0287	1
Schistosoma mansoni	voltage-gated potassium channel	0.0029	0.0434	0.0741
Echinococcus granulosus	cAMP dependent protein kinase regulatory	0.0025	0.0285	0.0536
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.1901	0.3576
Brugia malayi	MH2 domain containing protein	0.0117	0.3155	0.5935
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0186	0.5316	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.1901	0.3576
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0054	0.1199	0.2255
Trypanosoma cruzi	hypothetical protein, conserved	0.0025	0.0285	0.9928
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.0025	0.0285	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0159	0.4469	0.8407
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1901	0.1663
Trypanosoma brucei	STE group serine/threonine-protein kinase, putative	0.0017	0.0052	0.1794
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.0025	0.0285	0.0488
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0287	1
Brugia malayi	hypothetical protein	0.0016	0.0015	0.0029
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0285	0.0488
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0025	0.0285	0.0284
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0025	0.0285	0.0536
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0025	0.0285	0.0536
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1038	0.1952
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0001	0.0001
Echinococcus granulosus	hyperpolarization activated cyclic	0.0037	0.0667	0.1254
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0037	0.0667	0.1254
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0186	0.5316	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.034	0.1786
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0025	0.0285	0.0284
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Brugia malayi	aryl hydrocarbon receptor nuclear translocator protein, putative	0.0017	0.0052	0.0098
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0159	0.4469	0.7641
Leishmania major	cyclic nucleotide-binding protein-like protein	0.0025	0.0285	0.9928
Brugia malayi	Probable ClpP-like protease	0.0076	0.1901	0.3576
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0159	0.4469	0.8407
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0025	0.0285	0.0536
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0285	0.0488
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0001	0.0001
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0037	0.0667	0.1254
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0001	0.0001
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1901	1
Schistosoma mansoni	camp-dependent protein kinase type II regulatory subunit	0.0025	0.0285	0.0488
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.1901	0.5
Echinococcus multilocularis	voltage gated potassium channel	0.0054	0.1199	0.2255
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.3155	0.5935
Trypanosoma cruzi	cAMP binding protein, putative	0.0025	0.0285	0.9928
Schistosoma mansoni	voltage-gated potassium channel	0.0203	0.5849	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0001	0.0001
Echinococcus granulosus	patatin phospholipase domain containing protein	0.0025	0.0285	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0287	0.054
Mycobacterium tuberculosis	Probable transcriptional regulatory protein Cmr	0.0025	0.0285	0.0284
Leishmania major	protein kinase A regulatory subunit, putative	0.0025	0.0285	0.9928
Brugia malayi	hypothetical protein	0.0025	0.0287	0.054
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0025	0.0285	0.0536
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.1081	0.2033
Plasmodium vivax	CAMP-dependent protein kinase regulatory subunit, putative	0.0025	0.0285	0.1497
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.3155	0.5935
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0001	0.0001
Trypanosoma cruzi	cAMP response protein 1, putative	0.0025	0.0285	0.9928
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.1901	1
Schistosoma mansoni	similar to Protein C20orf152 homolog	0.0025	0.0285	0.0488
Schistosoma mansoni	voltage-gated potassium channel	0.0054	0.1199	0.205
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0287	0.1507
Leishmania major	hypothetical protein, unknown function	0.0025	0.0285	0.9928
Trichomonas vaginalis	cAMP-dependent protein kinase type I-beta regulatory subunit, putative	0.0025	0.0285	0.0477
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0037	0.0667	0.114
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0037	0.0667	0.1254
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0037	0.0667	0.1254
Brugia malayi	cAMP-dependent protein kinase regulatory chain, putative	0.0025	0.0285	0.0536
Leishmania major	regulatory subunit of protein kinase a-like protein	0.0025	0.0285	0.9928
Brugia malayi	N-terminal motif family protein	0.0025	0.0285	0.0536
Echinococcus multilocularis	cAMP dependent protein kinase type I beta	0.0025	0.0285	0.0536
Schistosoma mansoni	camp-dependent protein kinase type II-alpha regulatory subunit	0.0025	0.0285	0.0488
Trypanosoma brucei	cAMP binding protein, putative	0.0025	0.0285	0.9928
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Echinococcus granulosus	cAMP dependent protein kinase type I beta	0.0025	0.0285	0.0536
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.1901	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0025	0.0285	0.0536
Leishmania major	hypothetical protein, conserved	0.0025	0.0285	0.9928
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.1901	1
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0025	0.0285	0.1497
Echinococcus multilocularis	cAMP dependent protein kinase regulatory	0.0025	0.0285	0.0536
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0025	0.0285	0.1497
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0667	0.1254
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0285	0.0477

Activities

No activities found for this compound.

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: CHEMBL1766308

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 1514462