TDR Targets

Basic information

Technical information

TDR Targets ID: 574758
Name: N-(2-morpholin-4-ium-4-ylidenecyclohexyl)-N-o xido-nitrous amide
MW: 227.26 | Formula: C10H17N3O3
H donors: 0 H acceptors: 2 LogP: -0.34 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=NN(C1CCCCC1=[N+]1CCOCC1)[O-]
InChi: 1S/C10H17N3O3/c14-11-13(15)10-4-2-1-3-9(10)12-5-7-16-8-6-12/h10H,1-8H2
InChiKey: QXEWUFPSBCUREC-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-(4-morpholin-4-iumylidene)cyclohexyl]-N-oxidonitrous amide
N-(2-morpholin-4-ium-4-ylidenecyclohexyl)-N-oxidanidyl-nitrous amide
N-(2-morpholin-4-ium-4-ylidenecyclohexyl)-N-oxidonitrous amide
4-(2-(2-Hydroxy-1-oxidohydrazino)cyclohexylidene)-1,4.lambda.~5~-oxazinane
AIDS-135049
AIDS135049
Morpholine-cyclohexenamine Nitric Oxide Adduct
NSC634221

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	smad	0.0008	0.0104	0.0404
Brugia malayi	MH1 domain containing protein	0.0008	0.0104	0.0104
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.087	0.5844
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0007	0	0.5
Schistosoma mansoni	hypothetical protein	0.0037	0.2581	1
Echinococcus multilocularis	smad	0.0008	0.0104	0.0404
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	1	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.149	0.5772
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.2581	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.149	0.149
Entamoeba histolytica	hypothetical protein	0.0037	0.2581	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.149	1
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0104	0.0404
Onchocerca volvulus		0.0024	0.149	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.149	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.149	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.149	0.5772
Mycobacterium ulcerans	hypothetical protein	0.0024	0.149	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0104	0.0104
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.087	0.5844
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0957	0.6421
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.149	1
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0007	0	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0104	0.0404
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0007	0	0.5
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0104	0.0404
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0104	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0024	0.149	0.149
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0007	0	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.149	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.149	0.149
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.149	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0957	0.0957
Entamoeba histolytica	hypothetical protein	0.0037	0.2581	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.149	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.149	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.2581	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.2581	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0	0.5
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0104	0.0404
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0104	0.0404
Schistosoma mansoni	Smad4	0.0008	0.0104	0.0404
Loa Loa (eye worm)	Smad1	0.0008	0.0104	0.0104
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0104	0.0404
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0957	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.149	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.149	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0957	0.0957
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.149	0.149
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.149	0.149
Entamoeba histolytica	hypothetical protein	0.0037	0.2581	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0957	1
Entamoeba histolytica	hypothetical protein	0.0037	0.2581	1
Echinococcus granulosus	smad	0.0008	0.0104	0.0404
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.149	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0957	0.6421
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0957	0.0957
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0104	0.0104
Echinococcus granulosus	Smad4	0.0008	0.0104	0.0404
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0	0.5
Brugia malayi	Smad1	0.0008	0.0104	0.0104
Brugia malayi	MH1 domain containing protein	0.0008	0.0104	0.0104
Brugia malayi	MH2 domain containing protein	0.0008	0.0104	0.0104
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.087	0.5844
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.149	0.149
Brugia malayi	hypothetical protein	0.0037	0.2581	0.2581
Brugia malayi	MH2 domain containing protein	0.0008	0.0104	0.0104
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.149	0.5772
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0957	0.0957
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.149	1
Echinococcus multilocularis	Smad4	0.0008	0.0104	0.0404
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0957	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.149	1
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0104	0.0404
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	1	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.149	1
Toxoplasma gondii	propionate-CoA ligase	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0957	0.0957
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.087	0.5844

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

Search by CAS
PubChem: 366047

Bibliographic References

No literature references available for this target.

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Detailed information for compound 574758