TDR Targets

Basic information

Technical information

TDR Targets ID: 1637270
Name: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(hyd roxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4 ,5-triol
MW: 355.338 | Formula: C13H25NO10
H donors: 9 H acceptors: 8 LogP: -4.56 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: OCC1NC(COC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O
InChi: 1S/C13H25NO10/c15-1-4-7(17)10(20)8(18)5(14-4)3-23-13-12(22)11(21)9(19)6(2-16)24-13/h4-22H,1-3H2
InChiKey: VCIPQQCYKMORDY-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

2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]piperidine-3,4,5-triol
2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]piperidine-3,4,5-triol
2-methylol-6-[(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxymethyl]piperidine-3,4,5-triol
NCI60_009803

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
Onchocerca volvulus		0.0446	0.7652	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0194	0.2602	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0125	0.1235	0.2211
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0125	0.1235	0.1235
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0563	1	1
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0116	0.1054	0.1184
Trichomonas vaginalis	sulfite reductase, putative	0.0116	0.1054	0.5671
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0162	0.1971	0.2213
Schistosoma mansoni	alpha glucosidase	0.0125	0.1235	0.1285
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0194	0.2602	0.4661
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0368	0.6092	1
Leishmania major	acetyl-CoA carboxylase, putative	0.0508	0.8906	1
Schistosoma mansoni	alpha-glucosidase	0.0501	0.8765	0.984
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0194	0.2602	1
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0194	0.2602	0.2922
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0069	0.0104	0.0117
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0116	0.1054	0.1184
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0194	0.2602	1
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0069	0.0104	0.0186
Echinococcus multilocularis	methionine synthase reductase	0.0072	0.0163	0.006
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0069	0.0104	0.0117
Entamoeba histolytica	glycogen debranching enzyme, putative	0.0157	0.186	1
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0069	0.0104	0.0186
Echinococcus granulosus	neutral alpha glucosidase AB	0.0125	0.1235	0.1143
Echinococcus multilocularis	glycogen debranching enzyme	0.0157	0.186	0.1774
Trypanosoma cruzi	hypothetical protein, conserved	0.0125	0.1235	0.2211
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0116	0.1054	0.3804
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0116	0.1054	0.0961
Leishmania major	cytochrome P450 reductase, putative	0.0103	0.079	0.0887
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0194	0.2602	0.2525
Brugia malayi	FAD binding domain containing protein	0.0116	0.1054	0.1054
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0125	0.1235	0.6641
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0194	0.2602	0.2922
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0508	0.8906	0.8894
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0315	0.5028	0.9004
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0194	0.2602	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0125	0.1235	0.6641
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0508	0.8906	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0125	0.1235	0.6641
Loa Loa (eye worm)	hypothetical protein	0.0165	0.203	0.203
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0162	0.1971	0.2213
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.049	0.8549	0.8549
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0103	0.079	0.4246
Schistosoma mansoni	cytochrome P450 reductase	0.0116	0.1054	0.108
Echinococcus multilocularis	muscleblind protein 1	0.0165	0.203	0.1946
Brugia malayi	FAD binding domain containing protein	0.0072	0.0163	0.0163
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0342	0.5584	0.627
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0194	0.2602	1
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.0333	0.1792
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0072	0.0163	0.0163
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0563	1	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0342	0.5584	1
Chlamydia trachomatis	sulfite reductase	0.0072	0.0163	0.0276
Brugia malayi	flavodoxin family protein	0.0116	0.1054	0.1054
Toxoplasma gondii	pyruvate carboxylase	0.0194	0.2602	0.2839
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0194	0.2602	0.2525
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0087	0.0461	0.2477
Schistosoma mansoni	hypothetical protein	0.0113	0.0989	0.1005
Brugia malayi	Amylo-alpha-1,6-glucosidase family protein	0.0157	0.186	0.186
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0157	0.186	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0125	0.1235	0.6641
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0116	0.1054	0.1054
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0194	0.2604	0.2841
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0125	0.1235	0.6641
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0116	0.1054	0.1184
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0194	0.2604	0.2841
Giardia lamblia	Hypothetical protein	0.0103	0.079	0.2352
Schistosoma mansoni	alpha-glucosidase	0.0501	0.8765	0.984
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0342	0.5584	1
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0125	0.1235	0.1143
Echinococcus granulosus	methionine synthase reductase	0.0072	0.0163	0.006
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0116	0.1054	0.1184
Trichomonas vaginalis	alpha-glucosidase, putative	0.0125	0.1235	0.6641
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0508	0.8906	0.8894
Mycobacterium ulcerans	pyruvate carboxylase	0.0194	0.2602	1
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0157	0.186	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0125	0.1235	0.1235
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0194	0.2602	0.4661
Schistosoma mansoni	hypothetical protein	0.0201	0.2755	0.3012
Mycobacterium tuberculosis	Conserved hypothetical protein	0.018	0.2337	0.894
Loa Loa (eye worm)	amylo-alpha-1,6-glucosidase	0.0076	0.0251	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0165	0.203	0.203
Brugia malayi	Carboxyl transferase domain containing protein	0.049	0.8549	0.8549
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0116	0.1054	0.0961
Chlamydia trachomatis	biotin carboxylase	0.0176	0.2246	1
Trypanosoma brucei	unspecified product	0.0127	0.1274	0.143
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0116	0.1054	0.1888
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0125	0.1235	0.1285
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0368	0.6092	1
Leishmania major	mitochondrial DNA polymerase beta	0.0342	0.5584	0.627
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0508	0.8906	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0162	0.1971	0.3529
Echinococcus multilocularis	muscleblind protein	0.0165	0.203	0.1946
Trypanosoma cruzi	p450 reductase, putative	0.0116	0.1054	0.1888
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0563	1	1
Echinococcus granulosus	glycogen debranching enzyme	0.0157	0.186	0.1774
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0116	0.1054	0.1888
Schistosoma mansoni	pyruvate carboxylase	0.0194	0.2602	0.2839
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0069	0.0104	0.0186
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0194	0.2602	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0125	0.1235	0.6641
Brugia malayi	Muscleblind-like protein	0.0165	0.203	0.203
Loa Loa (eye worm)	hypothetical protein	0.0157	0.186	0.186
Trichomonas vaginalis	alpha-glucosidase, putative	0.0125	0.1235	0.6641
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0116	0.1054	0.0961
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0125	0.1235	0.6641
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0116	0.1054	0.05
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0072	0.0163	0.0067
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0116	0.1054	0.0961
Giardia lamblia	4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase	0.0157	0.186	1
Leishmania major	alpha glucosidase II subunit, putative	0.0125	0.1235	0.1387
Giardia lamblia	Nitric oxide synthase, inducible	0.0103	0.079	0.2352
Echinococcus granulosus	muscleblind protein	0.0165	0.203	0.1946
Leishmania major	p450 reductase, putative	0.0116	0.1054	0.1184
Schistosoma mansoni	acetyl-CoA carboxylase	0.0508	0.8906	1
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0069	0.0104	0.0117
Leishmania major	carboxylase, putative	0.0194	0.2602	0.2922
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0116	0.1054	0.1888
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0194	0.2602	1
Toxoplasma gondii	Amylo-alpha-1,6-glucosidase	0.0157	0.186	0.1995
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0116	0.1054	0.1184
Trypanosoma brucei	glucosidase, putative	0.0125	0.1235	0.1387
Trichomonas vaginalis	alpha-glucosidase, putative	0.0125	0.1235	0.6641
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0194	0.2602	0.2922
Trichomonas vaginalis	alpha-glucosidase, putative	0.0125	0.1235	0.6641
Trypanosoma brucei	acetyl-CoA carboxylase	0.0508	0.8906	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0563	1	1
Mycobacterium ulcerans	hypothetical protein	0.018	0.2337	0.894
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1054	0.1054

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

ChEMBL: CHEMBL2010388

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1637270