TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 198.262 | Formula: C10H18N2O2
H donors: 0 H acceptors: 0 LogP: 0.62 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CO/N=C/1\COC2(C1)CCN(CC2)C
InChi: 1S/C10H18N2O2/c1-12-5-3-10(4-6-12)7-9(8-14-10)11-13-2/h3-8H2,1-2H3/b11-9-
InChiKey: KWJJYXOGOPJKGK-LUAWRHEFSA-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 granulosus	twitchin	0.0027	0.0165	0.0267
Echinococcus granulosus	NCK adaptor protein	0.0028	0.022	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0127	0.321	0.321
Schistosoma mansoni	growth factor receptor-bound protein	0.0028	0.022	0.0382
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0123	0.3099	0.5003
Trypanosoma cruzi	AMP deaminase, putative	0.0061	0.1216	0.5
Entamoeba histolytica	adenosine deaminase, putative	0.0188	0.5074	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0211	0.0211
Schistosoma mansoni	adapter molecule crk	0.0028	0.022	0.0382
Echinococcus granulosus	tyrosine protein kinase Blk	0.0109	0.2671	0.4312
Trypanosoma brucei	AMP deaminase, putative	0.0061	0.1216	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0028	0.022	0.0382
Loa Loa (eye worm)	SRC-1	0.0123	0.3099	0.3099
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0123	0.3099	0.5003
Echinococcus granulosus	neuroglian	0.0027	0.0165	0.0267
Trypanosoma cruzi	AMP deaminase, putative	0.0061	0.1216	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0034	0.0402	0.0698
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0123	0.3099	0.5003
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0028	0.022	0.0354
Brugia malayi	Variant SH3 domain containing protein	0.0028	0.022	0.022
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.035	1	1
Brugia malayi	adenosine monophosphate deaminase	0.0061	0.1216	0.1216
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0028	0.022	0.022
Plasmodium falciparum	adenosine deaminase	0.0188	0.5074	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0123	0.3099	0.5003
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0123	0.3099	0.5003
Echinococcus granulosus	tyrosine kinase	0.0109	0.2671	0.4312
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0034	0.0402	0.0648
Trypanosoma brucei	AMP deaminase, putative	0.0061	0.1216	0.5
Trypanosoma cruzi	AMP deaminase 2, putative	0.0061	0.1216	0.5
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0123	0.3099	0.5003
Echinococcus multilocularis	AMP deaminase 2	0.0061	0.1216	0.1963
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0095	0.2232	0.3603
Schistosoma mansoni	AMP deaminase	0.0061	0.1216	0.2113
Echinococcus granulosus	c src tyrosine kinase	0.0034	0.0402	0.0648
Echinococcus granulosus	growth factor receptor bound protein 2	0.0028	0.022	0.0354
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0123	0.3099	0.5003
Loa Loa (eye worm)	hypothetical protein	0.0188	0.5074	0.5074
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0103	0.2489	0.4018
Brugia malayi	Sex muscle abnormal protein 5	0.0028	0.022	0.022
Onchocerca volvulus	Adenosine deaminase homolog	0.0188	0.5074	0.4768
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0123	0.3099	0.5003
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0225	0.6195	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0123	0.3099	0.5003
Echinococcus multilocularis	roundabout 2	0.0034	0.0377	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0377	0.0377
Echinococcus multilocularis	adenosine deaminase	0.0188	0.5074	0.8191
Loa Loa (eye worm)	hypothetical protein	0.0028	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0127	0.321	0.321
Brugia malayi	Variant SH3 domain containing protein	0.0028	0.022	0.022
Schistosoma mansoni	tyrosine kinase	0.0123	0.3099	0.5385
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0103	0.2489	0.4018
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0109	0.2671	0.4312
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1216	0.1216
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0123	0.3099	0.5003
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	0.0188	0.5074	0.5
Loa Loa (eye worm)	TK/ABL protein kinase	0.0225	0.6195	0.6195
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0123	0.3099	0.5003
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	0.0188	0.5074	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0123	0.3099	0.5003
Schistosoma mansoni	nck2/grb4	0.0028	0.022	0.0382
Trichomonas vaginalis	adenosine deaminase, putative	0.0188	0.5074	0.5
Trypanosoma cruzi	AMP deaminase, putative	0.0061	0.1216	0.5
Leishmania major	adenine aminohydrolase	0.0188	0.5074	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0123	0.3099	0.5003
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0109	0.2671	0.4312
Trypanosoma cruzi	adenosine monophosphate deaminase, putative	0.0061	0.1216	0.5
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0109	0.2671	0.4312
Trypanosoma cruzi	adenosine monophosphate deaminase-like protein, putative	0.0061	0.1216	0.5
Loa Loa (eye worm)	hypothetical protein	0.0127	0.321	0.321
Schistosoma mansoni	tyrosine kinase	0.0123	0.3099	0.5385
Echinococcus multilocularis	NCK adaptor protein	0.0028	0.022	0.0354
Schistosoma mansoni	nephrin	0.0027	0.0165	0.0287
Trichomonas vaginalis	adenosine deaminase, putative	0.0188	0.5074	0.5
Echinococcus granulosus	AMP deaminase 2	0.0061	0.1216	0.1963
Echinococcus multilocularis	neuroglian	0.0027	0.0165	0.0267
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0123	0.3099	0.5003
Schistosoma mansoni	cell adhesion molecule	0.0028	0.0211	0.0367
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0188	0.5074	1
Mycobacterium ulcerans	adenosine deaminase	0.0188	0.5074	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0123	0.3099	0.5003
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0109	0.2671	0.4312
Schistosoma mansoni	tyrosine kinase	0.0034	0.0402	0.0698
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0028	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1913	0.1913
Loa Loa (eye worm)	TK protein kinase	0.0109	0.2671	0.2671
Entamoeba histolytica	protein kinase, putative	0.0095	0.2232	0.2633
Loa Loa (eye worm)	TK protein kinase	0.0095	0.2232	0.2232
Trypanosoma brucei	AMP deaminase, putative	0.0061	0.1216	0.5
Onchocerca volvulus		0.0315	0.8959	0.957
Brugia malayi	Adenosine/AMP deaminase family protein	0.0188	0.5074	0.5074
Treponema pallidum	adenosine deaminase	0.0188	0.5074	0.5
Echinococcus granulosus	adenosine deaminase	0.0188	0.5074	0.8191
Brugia malayi	Tyrosine-protein kinase abl-1	0.0113	0.278	0.278
Entamoeba histolytica	adenosine deaminase, putative	0.0188	0.5074	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0028	0.0211	0.0341
Schistosoma mansoni	tyrosine kinase	0.021	0.5756	1
Trypanosoma cruzi	AMP deaminase, putative	0.0061	0.1216	0.5
Loa Loa (eye worm)	hypothetical protein	0.0127	0.321	0.321
Schistosoma mansoni	adenosine deaminase	0.0188	0.5074	0.8815
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0188	0.5074	1
Brugia malayi	protein-tyrosine kinase	0.0109	0.2671	0.2671
Onchocerca volvulus	Tyrosine kinase homolog	0.0327	0.9307	1
Schistosoma mansoni	tyrosine kinase	0.0034	0.0402	0.0698
Loa Loa (eye worm)	AMP deaminase	0.0061	0.1216	0.1216
Trypanosoma brucei	adenosine monophosphate deaminase, putative	0.0061	0.1216	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0123	0.3099	0.5003
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0225	0.6195	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0123	0.3099	0.5003
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0113	0.278	0.4488
Echinococcus granulosus	roundabout 2	0.0034	0.0377	0.0608
Brugia malayi	SRC-1	0.0123	0.3099	0.3099
Echinococcus multilocularis	c src tyrosine kinase	0.0034	0.0402	0.0648
Echinococcus granulosus	tyrosine protein kinase HCK	0.0095	0.2232	0.3603
Schistosoma mansoni	growth factor receptor-bound protein	0.0028	0.022	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0377	0.0377
Plasmodium vivax	adenosine deaminase, putative	0.0188	0.5074	1
Schistosoma mansoni	adenosine deaminase-related	0.0188	0.5074	0.8815
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0034	0.0402	0.0648
Trypanosoma cruzi	AMP deaminase, putative	0.0061	0.1216	0.5
Brugia malayi	Tyrosine-protein kinase abl-1	0.0126	0.3195	0.3195

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.98 uM	Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-OXO-M (oxotremorine) as the radioligand.	ChEMBL.	7739014
Max stimulation (functional)	0 %	The compound was tested for maximum stimulation of PI(phosphatidyl inositol) in rat hippocampal tissue, activity is expressed as percent of carbachol response; not available	ChEMBL.	7739014

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: CHEMBL289139

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 56080