Detailed information for compound 39050

Basic information

Technical information
  • TDR Targets ID: 39050
  • Name: 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-hydro xypropanal
  • MW: 265.225 | Formula: C10H11N5O4
  • H donors: 2 H acceptors: 6 LogP: -1.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CC(n1cnc2c1ncnc2N)OC(C=O)CO
  • InChi: 1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)
  • InChiKey: ILMNSCQOSGKTNZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-hydroxy-propanal
  • 2-(1-adenin-9-yl-2-keto-ethoxy)-3-hydroxy-propionaldehyde
  • periodate-oxidized adenosine
  • 2-[1-(6-amino-9-purinyl)-2-oxoethoxy]-3-hydroxypropanal
  • 2-[1-(6-aminopurin-9-yl)-2-keto-ethoxy]-3-hydroxy-propionaldehyde
  • 34240-05-6
  • A7154_SIGMA
  • Adenosine, periodate oxidized
  • Adenosine-2′,3′-dialdehyde
  • alpha-(Hydroxymethyl)-alpha'-(6-aminopurin-9-yl)diglycolaldehyde
  • 9H-Purine-9-acetaldehyde, 6-amino-alpha-(1-formyl)-2-(hydroxyethoxy)-, (R-(R*,R*))-
  • 6-Amino-alpha-(1-formyl-2-hydroxyethoxy)-9H-purine-9-acetaldehyde
  • AIDS-027543
  • AIDS027543
  • Adenosine dialdehyde
  • 9H-Purine-9-acetaldehyde, 6-amino-alpha-(1-formyl-2-hydroxyethoxy)-
  • Hydracrylaldehyde, 2-((6-amino-9H-purin-9-yl)formylmethoxy)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adenosylhomocysteinase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Schistosoma japonicum ko:K01251 adenosylhomocysteinase [EC3.3.1.1], putative Get druggable targets OG5_127233 All targets in OG5_127233
Trichomonas vaginalis adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Plasmodium berghei adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Echinococcus granulosus adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma congolense S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Plasmodium falciparum adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Toxoplasma gondii S-Adenosyl homocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Schistosoma mansoni adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Brugia malayi Adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Loa Loa (eye worm) adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Toxoplasma gondii adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Plasmodium yoelii adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma brucei gambiense S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania donovani S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania infantum S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative Get druggable targets OG5_127233 All targets in OG5_127233
Theileria parva S-adenosyl-L-homocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Cryptosporidium hominis adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Neospora caninum hypothetical protein Get druggable targets OG5_127233 All targets in OG5_127233
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania braziliensis S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania mexicana S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Entamoeba histolytica adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania braziliensis S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma congolense S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Trichomonas vaginalis adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Plasmodium knowlesi adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Candida albicans Putative S-adenosyl-L-homocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Echinococcus multilocularis adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Babesia bovis adenosylhomocysteinase (S-adenosyl-L-homocysteinehydrolase) Get druggable targets OG5_127233 All targets in OG5_127233
Candida albicans Putative S-adenosyl-L-homocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) Get druggable targets OG5_127233 All targets in OG5_127233
Cryptosporidium parvum S-adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
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
Loa Loa (eye worm) hypothetical protein 0.021 0.4449 0.4313
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0125 0.21 0.6841
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0156 0.2959 1
Schistosoma mansoni nAChR subunit 0.0125 0.21 0.6841
Onchocerca volvulus 0.0125 0.21 1
Echinococcus multilocularis adenosine deaminase 0.0104 0.151 0.4673
Onchocerca volvulus 0.0125 0.21 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0125 0.21 0.6841
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0274
Loa Loa (eye worm) hypothetical protein 0.007 0.0577 0.0346
Schistosoma mansoni nAChR subunit 0.0125 0.21 0.6841
Loa Loa (eye worm) LGC-31 protein 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Loa Loa (eye worm) GABA receptor subunit 0.0067 0.0507 0.0274
Echinococcus granulosus glycine receptor subunit beta 0.0125 0.21 0.6841
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0274
Loa Loa (eye worm) hypothetical protein 0.007 0.0577 0.0346
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0125 0.21 0.6841
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0125 0.21 0.1906
Leishmania major S-adenosylhomocysteine hydrolase 0.0156 0.2959 0.1707
Schistosoma mansoni nAChR subunit 0.0125 0.21 0.6841
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0125 0.21 0.6841
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0125 0.21 0.6841
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0125 0.21 0.6841
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0125 0.21 0.1906
Echinococcus granulosus glycine receptor subunit beta 0.0125 0.21 0.6841
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0125 0.21 0.6841
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0125 0.21 0.6841
Schistosoma mansoni adenosine deaminase-related 0.0104 0.151 0.4673
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Echinococcus multilocularis glycine receptor subunit beta 0.0125 0.21 0.6841
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0156 0.2959 1
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0156 0.2959 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0125 0.21 0.6841
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0067 0.0507 0.0274
Onchocerca volvulus 0.0125 0.21 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0274
Brugia malayi Adenosylhomocysteinase 0.0156 0.2959 0.2787
Echinococcus granulosus glycine receptor subunit alpha 1 0.0125 0.21 0.6841
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Trypanosoma brucei C-8 sterol isomerase, putative 0.0411 1 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0125 0.21 0.1906
Echinococcus granulosus glycine receptor subunit alpha 1 0.0125 0.21 0.6841
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0067 0.0507 0.0983
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0125 0.21 0.6841
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.007 0.0577 0.0346
Plasmodium falciparum adenosylhomocysteinase 0.0156 0.2959 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0125 0.21 0.6841
Echinococcus granulosus nAChR subunit 0.0067 0.0507 0.0983
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0125 0.21 0.1906
Brugia malayi Cation transporter family protein 0.0125 0.21 0.1906
Trichomonas vaginalis adenosine deaminase, putative 0.0104 0.151 0.5104
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0411 1 1
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.151 0.4092
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0067 0.0507 0.0983
Leishmania major C-8 sterol isomerase-like protein 0.0411 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0104 0.151 0.5104
Onchocerca volvulus 0.0125 0.21 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0125 0.21 0.1906
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0125 0.21 0.1906
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0125 0.21 0.1906
Toxoplasma gondii adenosylhomocysteinase, putative 0.0156 0.2959 1
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0156 0.2959 1
Schistosoma mansoni adenosylhomocysteinase 0.0097 0.1315 0.3956
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0125 0.21 0.1906
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0125 0.21 0.6841
Loa Loa (eye worm) hypothetical protein 0.0104 0.151 0.1302
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0125 0.21 0.6841
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0067 0.0507 0.0274
Echinococcus granulosus nAChR subunit 0.0125 0.21 0.6841
Schistosoma mansoni adenosylhomocysteinase 0.0156 0.2959 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0577 0.0346
Echinococcus multilocularis nAChR subunit 0.0125 0.21 0.6841
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0125 0.21 0.1906
Treponema pallidum adenosine deaminase 0.0104 0.151 0.5
Schistosoma mansoni nAChR subunit 0.0125 0.21 0.6841
Schistosoma mansoni nAChR subunit 0.0125 0.21 0.6841
Echinococcus granulosus adenosine deaminase 0.0104 0.151 0.4673
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0274
Schistosoma mansoni nAChR subunit 0.0125 0.21 0.6841
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Brugia malayi Cation transporter family protein 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Onchocerca volvulus Putative nachr subunit 0.0125 0.21 1
Brugia malayi Cation transporter family protein 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0274
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0125 0.21 0.6841
Echinococcus multilocularis glycine receptor subunit beta 0.0125 0.21 0.6841
Onchocerca volvulus 0.0067 0.0507 0.1438
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0156 0.2959 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0125 0.21 0.1906
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0411 1 1
Echinococcus multilocularis nAChR subunit 0.0067 0.0507 0.0983
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0274
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0156 0.2959 1
Onchocerca volvulus 0.0125 0.21 1
Loa Loa (eye worm) ACC-1 protein 0.0125 0.21 0.1906
Loa Loa (eye worm) ACC-1 protein 0.0125 0.21 0.1906
Schistosoma mansoni adenosine deaminase 0.0104 0.151 0.4673
Brugia malayi excitatory GABA receptor EXP-1A 0.0125 0.21 0.1906
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0125 0.21 0.6841
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0067 0.0507 0.0274
Echinococcus granulosus adenosylhomocysteinase 0.0156 0.2959 1
Schistosoma mansoni adenosylhomocysteinase 0.0097 0.1315 0.3956
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0125 0.21 0.6841
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0274
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0125 0.21 0.6841
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0125 0.21 0.6841
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0125 0.21 0.6841
Echinococcus multilocularis adenosylhomocysteinase 0.0156 0.2959 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0125 0.21 0.6841
Onchocerca volvulus 0.0125 0.21 1
Schistosoma mansoni nAChR subunit 0.0125 0.21 0.6841
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0125 0.21 0.1906
Onchocerca volvulus 0.0067 0.0507 0.1438
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0274
Entamoeba histolytica adenosylhomocysteinase, putative 0.0156 0.2959 1
Brugia malayi Adenosine/AMP deaminase family protein 0.0104 0.151 0.1302
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0125 0.21 0.6841
Onchocerca volvulus Adenosine deaminase homolog 0.0104 0.151 0.6831
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0125 0.21 0.1906
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0125 0.21 0.6841
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Schistosoma mansoni adenosylhomocysteinase 0.0097 0.1315 0.3956
Loa Loa (eye worm) adenosylhomocysteinase 0.0156 0.2959 0.2787
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0125 0.21 0.6841
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0156 0.2959 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0507 0.0274
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0125 0.21 0.1906
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0067 0.0507 0.0274
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0125 0.21 0.6841
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0125 0.21 0.1906
Schistosoma mansoni neurotransmitter gated ion channel 0.0067 0.0507 0.0983
Echinococcus granulosus glycine receptor subunit alpha 1 0.0125 0.21 0.6841
Schistosoma mansoni adenosylhomocysteinase 0.0097 0.1315 0.3956
Entamoeba histolytica adenosine deaminase, putative 0.0104 0.151 0.4092
Loa Loa (eye worm) hypothetical protein 0.0125 0.21 0.1906
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0125 0.21 0.1906
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0125 0.21 0.1906

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.41 ug ml-1 Compound was tested for antiviral activity against vaccinia virus in Vero cells. ChEMBL. No reference
IC50 (functional) = 3.1 ug ml-1 Compound was tested for antiviral activity against vesicular stomatitis virus (VSV) in L929 cells. ChEMBL. No reference
IC50 (functional) = 3.1 ug ml-1 Compound was tested for antiviral activity against vesicular stomatitis virus (VSV) in L929 cells. ChEMBL. No reference
Ki (binding) = 3.3 nM Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase . ChEMBL. No reference
Ki (binding) = 3.3 nM Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase . ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus 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.

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