Detailed information for compound 956674

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 279.29 | Formula: C10H21N3O6
  • H donors: 3 H acceptors: 4 LogP: 0.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H](O/N=[N+](/N(CC)CC)\[O-])C[C@H]([C@@H]1O)O
  • InChi: 1S/C10H21N3O6/c1-3-12(4-2)13(17)11-19-9-5-7(15)10(16)8(6-14)18-9/h7-10,14-16H,3-6H2,1-2H3/b13-11-/t7-,8-,9+,10+/m1/s1
  • InChiKey: ANTUQQZLYGHZOA-LVJYOWNFSA-N  


Substructure search Similarity search

Network

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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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0088 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1125 0.3553
Onchocerca volvulus 0.0017 0.0088 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.1803 1
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0088 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0088 0.0092
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.4618 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0088 0.0279
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1125 0.3368
Onchocerca volvulus 0.0017 0.0088 0.5
Onchocerca volvulus 0.0017 0.0088 0.5
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.1306 0.7098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Leishmania major cathepsin L-like protease 0.0063 0.1803 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0088 0.0092
Onchocerca volvulus 0.0017 0.0088 0.5
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.1601 0.8824
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.3165 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0088 0.0092
Leishmania major cathepsin L-like protease 0.0063 0.1803 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0397 1
Toxoplasma gondii melibiase subfamily protein 0.01 0.3165 1
Leishmania major cathepsin L-like protease 0.0063 0.1803 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.3165 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0088 0.0092
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.1937 0.6119
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0088 0.0279
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1125 0.5647
Loa Loa (eye worm) hypothetical protein 0.0067 0.1937 1
Echinococcus multilocularis Glycoside hydrolase, family 27 0.01 0.3165 1
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.1803 1
Toxoplasma gondii cathepsin CPL 0.0017 0.0088 0.0279
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0397 0.1799
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 1 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.3165 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1125 0.3553
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0088 0.5
Onchocerca volvulus 0.0017 0.0088 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1125 0.3368
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0088 0.0092
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0088 0.0092
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.1937 0.6119
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0397 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.4618 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1125 0.5607
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0397 0.1799
Onchocerca volvulus 0.0017 0.0088 0.5
Brugia malayi Melibiase family protein 0.0067 0.1937 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0397 0.1253
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.01 0.3165 1
Treponema pallidum fructose-bisphosphate aldolase 0.0287 1 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.3165 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.01 0.3165 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0397 0.1668
Giardia lamblia Fructose-bisphosphate aldolase 0.0287 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1125 0.3368
Leishmania major hypothetical protein, conserved 0.0025 0.0397 0.1799
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1125 0.3368
Onchocerca volvulus 0.0017 0.0088 0.5
Brugia malayi Cathepsin L-like precursor 0.0017 0.0088 0.0092
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.1803 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.4618 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0397 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1125 0.3553
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1803 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0067 0.1937 0.1865
Brugia malayi hypothetical protein 0.0025 0.0397 0.1745
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.1803 1

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

Bibliographic References

No literature references available for this target.

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