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

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

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

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