Detailed information for compound 558142

Basic information

Technical information
  • TDR Targets ID: 558142
  • Name: N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-(hydr oxymethyl)pentyl]acetamide
  • MW: 669.671 | Formula: C24H51N3O18
  • H donors: 18 H acceptors: 18 LogP: -10.85 Rotable bonds: 21
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)C.OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)C.OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)C
  • InChi: 1S/3C8H17NO6/c3*1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h3*5-8,10-11,13-15H,2-3H2,1H3,(H,9,12)/t3*5-,6+,7+,8+/m000/s1
  • InChiKey: KJEWREAVVXCNFZ-BAGIXUKZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2S,3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]ethanamide
  • N-[(1S,2R,3S,4R)-2,3,4,5-tetrahydroxy-1-methylol-pentyl]acetamide
  • N-[(2S,3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]acetamide
  • N-acetylglucosaminitol
  • 30664-10-9
  • 4271-28-7
  • (Nag)3
  • D-Glucitol, 2-(acetylamino)-2-deoxy-, trimer
  • N-Acetylglucosamine trimer

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
Onchocerca volvulus 0.0052 0.1061 0.169
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.055 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.6566 0.6367
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6173 0.595
Loa Loa (eye worm) TAR-binding protein 0.0126 0.4227 0.4227
Loa Loa (eye worm) hypothetical protein 0.0027 0.0021 0.0021
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.055 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6173 0.595
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6173 0.595
Echinococcus multilocularis tar DNA binding protein 0.0126 0.4227 0.4388
Echinococcus granulosus survival motor neuron protein 1 0.0253 0.9606 1
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6173 0.595
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.034 0.0319
Trichomonas vaginalis glucosylceramidase, putative 0.0263 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.6566 0.6367
Trichomonas vaginalis glucosylceramidase, putative 0.0263 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.055 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1019 0.1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.055 0.053
Schistosoma mansoni hypothetical protein 0.0036 0.0414 0.0638
Schistosoma mansoni survival motor neuron protein 0.0052 0.1061 0.169
Trichomonas vaginalis glucosylceramidase, putative 0.0263 1 1
Onchocerca volvulus Huntingtin homolog 0.0123 0.4095 0.6623
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6173 0.595
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6173 0.595
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.8972 0.8972
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0414 0.041
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.055 0.0552
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4227 0.6836
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.055 0.5
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.004 0.055 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0414 0.0638
Trichomonas vaginalis glucosylceramidase, putative 0.0263 1 1
Loa Loa (eye worm) hypothetical protein 0.0253 0.9606 0.9606
Loa Loa (eye worm) hypothetical protein 0.004 0.055 0.055
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0263 1 1
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4227 0.6836
Schistosoma mansoni hypothetical protein 0.0172 0.6173 1
Echinococcus granulosus tar DNA binding protein 0.0126 0.4227 0.4388
Brugia malayi hypothetical protein 0.0123 0.4095 0.4083
Brugia malayi follicle stimulating hormone receptor 0.0238 0.8972 0.897
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.6173 0.595
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.6173 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0021 0.0021
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.055 0.0552
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.055 0.0552
Loa Loa (eye worm) hypothetical protein 0.0051 0.1019 0.1019
Schistosoma mansoni hypothetical protein 0.0052 0.1061 0.169
Loa Loa (eye worm) RNA binding protein 0.0126 0.4227 0.4227
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.4227 0.4227
Brugia malayi hypothetical protein 0.0253 0.9606 0.9605
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1019 0.1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.055 0.0552
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0414 0.041
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.055 0.0859
Loa Loa (eye worm) hypothetical protein 0.0123 0.4095 0.4095
Brugia malayi hypothetical protein 0.0036 0.0414 0.0393
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.055 0.0859
Loa Loa (eye worm) hypothetical protein 0.0035 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0123 0.4095 0.4095
Echinococcus multilocularis geminin 0.0172 0.6173 0.6419
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.055 0.0552
Brugia malayi RNA binding protein 0.0126 0.4227 0.4215
Echinococcus multilocularis survival motor neuron protein 1 0.0253 0.9606 1
Trichomonas vaginalis glucosylceramidase, putative 0.0263 1 1
Onchocerca volvulus Huntingtin homolog 0.0123 0.4095 0.6623
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0021 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4227 0.6836
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.1061 0.1042
Brugia malayi TAR-binding protein 0.0126 0.4227 0.4215
Trichomonas vaginalis glucosylceramidase, putative 0.0263 1 1
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4227 0.6836
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.055 0.0552
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1019 0.1019
Schistosoma mansoni hypothetical protein 0.0172 0.6173 1
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4227 0.6836
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.4227 0.4215
Schistosoma mansoni hypothetical protein 0.0035 0.034 0.0518
Echinococcus granulosus geminin 0.0172 0.6173 0.6419
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.055 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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