TDR Targets

Basic information

Technical information

TDR Targets ID: 85023
Name: N-[2-(cyanoamino)-2-oxoethyl]benzamide
MW: 203.197 | Formula: C10H9N3O2
H donors: 2 H acceptors: 3 LogP: 0.6 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#CNC(=O)CNC(=O)c1ccccc1
InChi: 1S/C10H9N3O2/c11-7-13-9(14)6-12-10(15)8-4-2-1-3-5-8/h1-5H,6H2,(H,12,15)(H,13,14)
InChiKey: GDWWULFTBCMGDE-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

N-[2-(cyanoamino)-2-oxo-ethyl]benzamide
N-[2-(cyanoamino)-2-keto-ethyl]benzamide

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
Leishmania major	hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative	0.0088	0.4106	0.5
Leishmania major	hypothetical protein, conserved	0.0088	0.4106	0.5
Mycobacterium tuberculosis	Beta lactamase like protein	0.0088	0.4106	0.5
Mycobacterium ulcerans	hydrolase	0.0088	0.4106	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0088	0.4106	0.5
Entamoeba histolytica	type A flavoprotein, putative	0.0088	0.4106	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0088	0.4106	0.5
Brugia malayi	hypothetical protein	0.0088	0.4106	1
Wolbachia endosymbiont of Brugia malayi	metallo-beta-lactamase superfamily hydrolase	0.0088	0.4106	0.5
Mycobacterium tuberculosis	Conserved protein	0.0088	0.4106	0.5
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0088	0.4106	0.313
Echinococcus multilocularis	Glycosyl transferase, family 8	0.007	0.279	0.1596
Entamoeba histolytica	hypothetical protein, conserved	0.0088	0.4106	0.5
Mycobacterium tuberculosis	Possible hydrolase	0.0088	0.4106	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1165	0.2838
Brugia malayi	ethe1-prov protein	0.0088	0.4106	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4106	1
Schistosoma mansoni	zinc phosphodiesterase	0.0088	0.4106	0.4106
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0088	0.4106	0.313
Trypanosoma cruzi	glyoxalase II	0.0088	0.4106	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0088	0.4106	0.5
Mycobacterium leprae	Beta-lactamase-like protein	0.0088	0.4106	0.5
Mycobacterium ulcerans	beta lactamase-like protein	0.0088	0.4106	0.5
Echinococcus granulosus	zinc phosphodiesterase	0.0088	0.4106	0.313
Mycobacterium ulcerans	hypothetical protein	0.0088	0.4106	0.5
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0088	0.4106	0.5
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0088	0.4106	0.5
Mycobacterium ulcerans	hydrolase	0.0088	0.4106	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4106	1
Trichomonas vaginalis	A-type flavoprotein	0.0088	0.4106	0.5
Mycobacterium ulcerans	Zn-dependent glyoxylase	0.0088	0.4106	0.5
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0088	0.4106	0.5
Trypanosoma cruzi	glyoxalase II	0.0088	0.4106	0.5
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0088	0.4106	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0088	0.4106	0.5
Trypanosoma brucei	glyoxalase II	0.0088	0.4106	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1165	0.2838
Mycobacterium tuberculosis	Possible hydrolase	0.0088	0.4106	0.5
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase cytoplasmic	0.0088	0.4106	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1165	0.2838
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0088	0.4106	0.5
Toxoplasma gondii	hydroxyacylglutathione hydrolase	0.0088	0.4106	0.5
Mycobacterium tuberculosis	Conserved protein	0.0088	0.4106	0.5
Trypanosoma cruzi	glyoxalase II	0.0088	0.4106	0.5
Brugia malayi	Glycosyl transferase family 8 protein	0.007	0.279	0.6795
Schistosoma mansoni	hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II)	0.0088	0.4106	0.4106
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0088	0.4106	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0088	0.4106	0.5
Trypanosoma brucei	hydroxyacylglutathione hydrolase, putative	0.0088	0.4106	0.5
Loa Loa (eye worm)	metallo-beta-lactamase superfamily protein	0.0088	0.4106	1
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0088	0.4106	0.313
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0088	0.4106	0.5
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase	0.0088	0.4106	1
Mycobacterium ulcerans	hypothetical protein	0.0088	0.4106	0.5
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0068	0.2622	0.1399
Schistosoma mansoni	glycosyltransferase-related	0.007	0.279	0.279
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0088	0.4106	0.313
Echinococcus granulosus	Glycosyl transferase family 8	0.007	0.279	0.1596
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4106	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0088	0.4106	0.5
Echinococcus multilocularis	hydroxyacylglutathione hydrolase	0.0088	0.4106	0.313
Onchocerca volvulus		0.0088	0.4106	0.5
Chlamydia trachomatis	ribonuclease Z	0.0088	0.4106	0.5
Plasmodium vivax	unspecified product	0.0088	0.4106	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0088	0.4106	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0088	0.4106	0.5
Echinococcus granulosus	hydroxyacylglutathione hydrolase	0.0088	0.4106	0.313
Echinococcus granulosus	glycosyltransferase protein LARGE2	0.0068	0.2622	0.1399
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0068	0.2622	0.1399
Echinococcus multilocularis	geminin	0.0166	1	1
Leishmania major	metallo-beta-lactamase family-like protein	0.0088	0.4106	0.5
Mycobacterium ulcerans	hypothetical protein	0.0088	0.4106	0.5
Schistosoma mansoni	zinc phosphodiesterase	0.0088	0.4106	0.4106
Toxoplasma gondii	metallo-beta-lactamase domain-containing protein	0.0088	0.4106	0.5
Echinococcus multilocularis	ETHE1 protein	0.0088	0.4106	0.313
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0088	0.4106	1
Onchocerca volvulus	Hydroxyacylglutathione hydrolase, mitochondrial homolog	0.0088	0.4106	0.5
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0088	0.4106	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0088	0.4106	0.5
Schistosoma mansoni	hypothetical protein	0.0088	0.4106	0.4106
Mycobacterium leprae	POSSIBLE HYDROLASE	0.0088	0.4106	0.5
Leishmania major	metallo-beta-lactamase family protein-like protein	0.0088	0.4106	0.5
Leishmania major	cleavage and polyadenylation specificity factor, putative	0.0088	0.4106	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0088	0.4106	0.5
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0068	0.2622	0.1399
Onchocerca volvulus	Putative hydrolase PNKD	0.0088	0.4106	0.5
Mycobacterium ulcerans	hydrolase	0.0088	0.4106	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0088	0.4106	0.5
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0088	0.4106	0.5
Schistosoma mansoni	hypothetical protein	0.0088	0.4106	0.4106
Treponema pallidum	ribonuclease Z	0.0088	0.4106	0.5
Mycobacterium ulcerans	hypothetical protein	0.0088	0.4106	0.5
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0088	0.4106	0.5
Mycobacterium ulcerans	glyoxalase II, GloB	0.0088	0.4106	0.5
Mycobacterium tuberculosis	Conserved protein	0.0088	0.4106	0.5
Trypanosoma brucei	metallo-beta-lactamase-like protein, putative	0.0088	0.4106	0.5
Onchocerca volvulus		0.0088	0.4106	0.5
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0088	0.4106	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0088	0.4106	0.5
Echinococcus multilocularis	zinc phosphodiesterase	0.0088	0.4106	0.313
Entamoeba histolytica	type A flavoprotein, putative	0.0088	0.4106	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0088	0.4106	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0088	0.4106	0.5
Loa Loa (eye worm)	glycosyl transferase family 8 protein	0.007	0.279	0.6795
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0088	0.4106	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1165	0.2838
Plasmodium falciparum	cytosolic glyoxalase II	0.0088	0.4106	0.5
Giardia lamblia	Metallo-beta-lactamase superfamily protein	0.0088	0.4106	0.5
Brugia malayi	Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site.	0.0088	0.4106	1
Schistosoma mansoni	hypothetical protein	0.0088	0.4106	0.4106
Trichomonas vaginalis	beta lactamase domain, putative	0.0088	0.4106	0.5
Trypanosoma brucei	cleavage and polyadenylation specificity factor subunit, putative	0.0088	0.4106	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4106	1
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0088	0.4106	0.5
Entamoeba histolytica	alkyl sulfatase, putative	0.0088	0.4106	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0088	0.4106	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0088	0.4106	0.5
Entamoeba histolytica	alkyl sulfatase, putative	0.0088	0.4106	0.5
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0088	0.4106	0.5
Plasmodium vivax	hydroxyacyl glutathione hydrolase, putative	0.0088	0.4106	0.5
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0088	0.4106	0.5
Echinococcus granulosus	ETHE1 protein	0.0088	0.4106	0.313
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0088	0.4106	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Concentration (functional)	= 200 uM	Tested for effect on ethanol derived blood Ach levels in rats at 1.0 mmol/kg	ChEMBL.	3761311
Concentration (functional)	= 400 uM	Tested for effect on ethanol derived blood Ach levels in rats at 1.0 mmol/kg	ChEMBL.	3761311

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: CHEMBL57562
PubChem: 14054632

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 85023