Detailed information for compound 554750

Basic information

Technical information
  • TDR Targets ID: 554750
  • Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-nitro propoxy)tetrahydropyran-3,4,5-triol
  • MW: 267.233 | Formula: C9H17NO8
  • H donors: 4 H acceptors: 6 LogP: -1.89 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H](OCCC[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C9H17NO8/c11-4-5-6(12)7(13)8(14)9(18-5)17-3-1-2-10(15)16/h5-9,11-14H,1-4H2/t5-,6-,7+,8-,9-/m1/s1
  • InChiKey: JDJSHLXEHWCLEP-SYHAXYEDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-nitropropoxy)oxane-3,4,5-triol
  • (2R,3S,4S,5R,6R)-2-methylol-6-(3-nitropropoxy)tetrahydropyran-3,4,5-triol
  • miserotoxin
  • 24502-76-9
  • C08507
  • 3-Nitro-1-propyl-beta-D-glucoside
  • 3-Nitropropyl beta-D-glucopyranoside
  • 3-Nitropropyl-beta-D-glucopyranoside
  • Glucopyranoside, 3-nitropropyl-, beta-D-
  • beta-D-Glucopyranoside, 3-nitropropyl- (9CI)

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
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0014 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0025 0.0232 0.1831
Onchocerca volvulus 0.0093 0.1265 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0456
Onchocerca volvulus 0.0093 0.1265 1
Onchocerca volvulus 0.0014 0.0058 0.0456
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0093 0.1265 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.1071
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.1071
Loa Loa (eye worm) ShTK domain-containing protein 0.0093 0.1265 1
Onchocerca volvulus 0.0014 0.0058 0.0456
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0201 0.2897 1
Trypanosoma brucei oxidoreductase-like protein 0.0014 0.0058 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0232 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0232 0.0613
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.1071
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0201 0.2897 1
Onchocerca volvulus 0.0093 0.1265 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0201 0.2897 1
Brugia malayi Common central domain of tyrosinase family protein 0.0093 0.1265 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0093 0.1265 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0058 0.0456
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0232 0.1831
Onchocerca volvulus 0.0025 0.0232 0.1831
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0201 0.2897 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0232 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0232 0.0613
Loa Loa (eye worm) hypothetical protein 0.0093 0.1265 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0232 1
Schistosoma mansoni dihydropteridine reductase 0.0014 0.0058 0.0058
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0232 0.0613
Schistosoma mansoni tyrosinase precursor 0.0093 0.1265 0.1265
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0232 0.0613
Loa Loa (eye worm) hypothetical protein 0.0025 0.0232 0.1831
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0232 0.0613
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.012 0.0219
Onchocerca volvulus 0.0093 0.1265 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0135 0.0274
Loa Loa (eye worm) hypothetical protein 0.0014 0.0058 0.0456
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0232 0.0613
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0014 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.1071
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0201 0.2897 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0135 0.0274
Echinococcus multilocularis microtubule associated protein 2 0.067 1 1
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0135 0.0274
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.012 0.0219
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0014 0.0058 0.0456
Loa Loa (eye worm) retinol dehydrogenase 12 0.0014 0.0058 0.0456
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0014 0.0058 0.0058
Loa Loa (eye worm) ShTK domain-containing protein 0.0093 0.1265 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0014 0.0058 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0232 0.0613
Loa Loa (eye worm) hypothetical protein 0.0025 0.0232 0.1831
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0232 1
Loa Loa (eye worm) tyrosinase 1 0.0093 0.1265 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0232 0.1831
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0201 0.2897 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0232 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0014 0.0058 0.5
Brugia malayi ShTK domain containing protein 0.0093 0.1265 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0232 0.0613
Plasmodium falciparum enoyl-acyl carrier reductase 0.0201 0.2897 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0232 0.0613
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0135 0.0274
Schistosoma mansoni tyrosinase precursor 0.0093 0.1265 0.1265
Schistosoma mansoni microtubule-associated protein tau 0.067 1 1
Trypanosoma brucei pteridine reductase 1 0.0014 0.0058 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0093 0.1265 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0232 0.0613
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0232 1
Trichomonas vaginalis hypothetical protein 0.0201 0.2897 0.5
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0093 0.1265 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0232 0.1831
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0135 0.0274
Loa Loa (eye worm) oxidoreductase 0.0014 0.0058 0.0456
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.012 0.0219
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.012 0.0219
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0232 0.0613
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0014 0.0058 0.5
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0201 0.2897 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0232 0.0613
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.1071
Loa Loa (eye worm) hypothetical protein 0.0093 0.1265 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0014 0.0058 0.5

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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