Detailed information for compound 1519956

Basic information

Technical information
  • TDR Targets ID: 1519956
  • Name: (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane- 2,4,5-triol hydrochloride
  • MW: 215.632 | Formula: C6H14ClNO5
  • H donors: 5 H acceptors: 4 LogP: -2.04 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)N.Cl
  • InChi: 1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6?;/m1./s1
  • InChiKey: QKPLRMLTKYXDST-NSEZLWDYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol hydrochloride
  • (3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol hydrochloride
  • ST5308209
  • D-()-Glucosamine hydrochloride
  • G1514_SIGMA
  • 2-Amino-2-deoxy-D-galactopyranose hydrochloride
  • D-()-Galactosamine hydrochloride
  • D-Chondrosamine hydrochloride
  • G0500_SIGMA
  • 2-Amino-2-deoxy-D-glucose hydrochloride
  • G1639_SIGMA
  • G4875_SIGMA
  • [(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium chloride
  • [(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]ammonium chloride
  • [(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]ammonium chloride
  • [(3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]ammonium chloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Leishmania major 4-coumarate:coa ligase-like protein 0.002 0.0454 0.1299
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0771 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0483 0.0519
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.5009 0.5387
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0033 0.2189 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0483 0.0644
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0483 0.0644
Schistosoma mansoni zinc finger protein 0.0018 0.0194 0.0241
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0033 0.2189 1
Schistosoma mansoni hypothetical protein 0.0018 0.0194 0.0241
Loa Loa (eye worm) hepatopoietin HPO2 0.0033 0.2189 0.2355
Brugia malayi PHD-finger family protein 0.003 0.1773 0.1773
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0771 0.0771
Loa Loa (eye worm) hypothetical protein 0.0049 0.4373 0.4703
Schistosoma mansoni hypothetical protein 0.0037 0.269 0.3332
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0771 0.1029
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0771 0.2888
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0771 0.2888
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.002 0.0454 0.5
Leishmania major hypothetical protein, conserved 0.0033 0.2189 1
Echinococcus granulosus zinc finger protein 0.0024 0.0897 0.1198
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7487 1
Leishmania major 4-coumarate:coa ligase-like protein 0.002 0.0454 0.1299
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0033 0.2189 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.3984 0.4285
Schistosoma mansoni bromodomain containing protein 0.0076 0.8075 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.5009 0.5009
Schistosoma mansoni zinc finger protein 0.0024 0.0897 0.1111
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0483 0.0598
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.1384 0.1849
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0771 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.1071 0.1151
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0033 0.2189 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3583 0.4786
Brugia malayi AMP-binding enzyme family protein 0.002 0.0454 0.0454
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0771 1
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0583 0.0627
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0771 0.2888
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.1384 0.1849
Schistosoma mansoni hypothetical protein 0.0025 0.1071 0.1326
Loa Loa (eye worm) hypothetical protein 0.0085 0.9297 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0483 0.0598
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.5009 0.5009
Schistosoma mansoni ap endonuclease 0.0023 0.0771 0.0954
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0771 0.1029
Loa Loa (eye worm) hypothetical protein 0.002 0.0454 0.0488
Echinococcus multilocularis zinc finger protein 0.0024 0.0897 0.1198
Toxoplasma gondii Erv1 / Alr family protein 0.0033 0.2189 1
Schistosoma mansoni ap endonuclease 0.0023 0.0771 0.0954
Onchocerca volvulus 0.002 0.0454 0.5
Brugia malayi AMP-binding enzyme family protein 0.002 0.0454 0.0454
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3583 0.4786
Loa Loa (eye worm) hypothetical protein 0.002 0.0454 0.0488
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0483 0.0598
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0771 0.5
Toxoplasma gondii Erv1 / Alr family protein 0.0033 0.2189 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0483 0.0644
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0033 0.2189 0.2924
Loa Loa (eye worm) hypothetical protein 0.002 0.0454 0.0488
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0033 0.2189 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.1384 0.1714
Loa Loa (eye worm) hypothetical protein 0.0054 0.5009 0.5387
Brugia malayi AMP-binding enzyme family protein 0.002 0.0454 0.0454
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0771 0.0829
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.002 0.0454 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.269 0.269
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0483 0.0644
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7487 1
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0033 0.2189 0.2924
Brugia malayi Augmenter of liver regeneration 0.0033 0.2189 0.2189
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0033 0.2189 1
Brugia malayi Bromodomain containing protein 0.0046 0.3972 0.3972
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0771 0.2888
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0483 0.0598
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0771 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.269 0.2894
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0771 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0771 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.4686 0.504
Leishmania major 4-coumarate:coa ligase-like protein 0.002 0.0454 0.1299
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0771 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 64.3 % Antiinflammatory activity against ICR mouse ear edema model assessed as inhibition of xylene-induced edema at 10 umol/kg, po administered 30 mins prior to xylene challenge measured after 2 hrs relative to vehicle-treated control ChEMBL. 25666911
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

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