Detailed information for compound 1862940

Basic information

Technical information
  • TDR Targets ID: 1862940
  • Name: [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydrox y-5-(hydroxymethyl)oxolan-3-yl] propanoate
  • MW: 323.305 | Formula: C13H17N5O5
  • H donors: 3 H acceptors: 6 LogP: -0.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@H]([C@@H]1O)OC(=O)CC)n1cnc2c1ncnc2N
  • InChi: 1S/C13H17N5O5/c1-2-7(20)23-10-9(21)6(3-19)22-13(10)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,19,21H,2-3H2,1H3,(H2,14,15,16)/t6-,9-,10+,13-/m1/s1
  • InChiKey: ZJGJHHKPRTUHSO-FAYBLGNRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] propanoate
  • propanoic acid [(2R,3S,4R,5R)-2-(6-amino-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranyl] ester
  • propionic acid [(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester
  • 65174-99-4
  • Propionic acid 2-(6-amino-purin-9-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl ester
  • AIDS-208808
  • AIDS208808

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
Trichomonas vaginalis CMGC family protein kinase 0.0637 0.7527 1
Entamoeba histolytica hypothetical protein 0.0141 0.0952 0.1075
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0637 0.7527 1
Loa Loa (eye worm) chitinase I 0.0082 0.0159 0.0159
Entamoeba histolytica cell division protein kinase 2, putative 0.0147 0.1031 0.1183
Echinococcus granulosus acetylcholinesterase 0.0404 0.4433 0.4254
Echinococcus granulosus dual specificity 0.0637 0.7527 0.7494
Echinococcus granulosus biogenic amine 5HT receptor 0.0111 0.0553 0.0191
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0147 0.1031 0.0923
Echinococcus granulosus serine:threonine protein kinase haspin 0.0817 0.9921 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0817 0.9921 1
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0637 0.7527 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0147 0.1031 0.1031
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0129 0.0795 0.0444
Schistosoma mansoni protein kinase 0.0147 0.1031 0.0692
Echinococcus multilocularis serotonin receptor 0.0111 0.0553 0.0191
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0141 0.0952 0.0609
Loa Loa (eye worm) microfilarial chitinase 0.0079 0.013 0.013
Trichomonas vaginalis CMGC family protein kinase 0.0637 0.7527 1
Brugia malayi Carboxylesterase family protein 0.0404 0.4433 0.4378
Trypanosoma brucei protein kinase, putative 0.0147 0.1031 0.0923
Trichomonas vaginalis CMGC family protein kinase 0.0637 0.7527 1
Loa Loa (eye worm) hypothetical protein 0.0404 0.4433 0.4433
Echinococcus granulosus serine:threonine protein kinase NLK 0.0147 0.1031 0.0692
Loa Loa (eye worm) hypothetical protein 0.0091 0.0291 0.0291
Echinococcus granulosus dual specificity 0.0637 0.7527 0.7494
Echinococcus multilocularis carboxylesterase 5A 0.0404 0.4433 0.4254
Trichomonas vaginalis CMGC family protein kinase 0.0637 0.7527 1
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0637 0.7527 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0817 0.9921 1
Onchocerca volvulus Putative endochitinase 0.0091 0.029 0.2052
Trichomonas vaginalis CMGC family protein kinase 0.0637 0.7527 1
Schistosoma mansoni hypothetical protein 0.0129 0.0795 0.0444
Echinococcus multilocularis serotonin receptor 0.0111 0.0553 0.0191
Brugia malayi GSG2 0.0817 0.9921 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.0795 0.0795
Loa Loa (eye worm) hypothetical protein 0.0129 0.0795 0.0795
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0097 0.037 0.0286
Brugia malayi cyclin-dependent kinase 7 homolog 0.0147 0.1031 0.0893
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0404 0.4433 0.4254
Loa Loa (eye worm) cuticular endochitinase 0.0082 0.0159 0.0159
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0129 0.0795 0.0651
Brugia malayi Cell division protein kinase 2 0.0147 0.1031 0.0893
Echinococcus multilocularis dual specificity 0.0637 0.7527 0.7494
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0637 0.7527 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0553 0.0553
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0817 0.9921 1
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0147 0.1031 1
Loa Loa (eye worm) hypothetical protein 0.0404 0.4433 0.4433
Schistosoma mansoni serine/threonine protein kinase 0.0147 0.1031 0.0692
Schistosoma mansoni hypothetical protein 0.0817 0.9921 1
Brugia malayi endochitinase 0.0091 0.029 0.0134
Schistosoma mansoni serine/threonine kinase 0.0147 0.1031 0.0692
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0637 0.7527 0.7527
Entamoeba histolytica protein kinase, putative 0.0637 0.7527 1
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0129 0.0795 0.0444
Entamoeba histolytica hypothetical protein 0.0097 0.037 0.0286
Loa Loa (eye worm) haspin protein kinase 0.0817 0.9921 0.9921
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0147 0.1031 0.0692
Loa Loa (eye worm) haspin protein kinase 0.0817 0.9921 0.9921
Mycobacterium ulcerans chitinase/cellulase 0.007 0 0.5
Onchocerca volvulus Putative endochitinase 0.0091 0.029 0.2052
Plasmodium falciparum MO15-related protein kinase 0.0147 0.1031 1
Giardia lamblia Kinase, CMGC DYRK 0.0637 0.7527 1
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0147 0.1031 0.1183
Brugia malayi hypothetical protein 0.0817 0.9921 1
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0147 0.1031 0.0923
Echinococcus multilocularis hypothetical protein 0.0141 0.0952 0.0609
Loa Loa (eye worm) acetylcholinesterase 1 0.0404 0.4433 0.4433
Mycobacterium ulcerans chitinase/cellulase 0.007 0 0.5
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0147 0.1031 0.0923
Schistosoma mansoni biogenic amine (5HT) receptor 0.0111 0.0553 0.0191
Entamoeba histolytica protein kinase domain containing protein 0.0637 0.7527 1
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0147 0.1031 0.0692
Onchocerca volvulus 0.0129 0.0795 1
Onchocerca volvulus 0.0129 0.0795 1
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0147 0.1031 0.0923
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0147 0.1031 0.0692
Brugia malayi Endochitinase 0.0091 0.029 0.0134
Leishmania major serine/threonine kinase-like protein, putative 0.0147 0.1031 0.1183
Brugia malayi Protein kinase domain containing protein 0.0097 0.037 0.0216
Echinococcus granulosus carboxylesterase 5A 0.0404 0.4433 0.4254
Echinococcus multilocularis acetylcholinesterase 0.0404 0.4433 0.4254
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0147 0.1031 0.1031
Entamoeba histolytica protein kinase domain containing protein 0.0097 0.037 0.0286
Echinococcus granulosus acetylcholinesterase 0.0404 0.4433 0.4254
Echinococcus granulosus dual specificity 0.0637 0.7527 0.7494
Schistosoma mansoni serine/threonine protein kinase 0.0637 0.7527 0.7494
Loa Loa (eye worm) carboxylesterase 0.0404 0.4433 0.4433
Entamoeba histolytica protein kinase, putative 0.0097 0.037 0.0286
Brugia malayi Protein kinase domain containing protein 0.0147 0.1031 0.0893
Entamoeba histolytica protein kinase domain containing protein 0.0147 0.1031 0.1183
Echinococcus multilocularis acetylcholinesterase 0.0404 0.4433 0.4254
Mycobacterium tuberculosis Possible chitinase 0.007 0 0.5
Brugia malayi Carboxylesterase family protein 0.0404 0.4433 0.4378
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0147 0.1031 1
Onchocerca volvulus Putative endochitinase 0.0091 0.029 0.2052
Schistosoma mansoni hypothetical protein 0.0141 0.0952 0.0609
Loa Loa (eye worm) hypothetical protein 0.0091 0.0291 0.0291
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0817 0.9921 1
Echinococcus multilocularis dual specificity 0.0637 0.7527 0.7494
Echinococcus multilocularis dual specificity 0.0637 0.7527 0.7494
Trichomonas vaginalis CMGC family protein kinase 0.0637 0.7527 1
Echinococcus granulosus cyclin dependent kinase 9 0.0147 0.1031 0.0692
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0097 0.037 0.037
Entamoeba histolytica protein kinase, putative 0.0097 0.037 0.0286
Echinococcus granulosus mitogen activated protein kinase 15 0.0147 0.1031 0.0692
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0637 0.7527 0.7548
Loa Loa (eye worm) hypothetical protein 0.0111 0.0553 0.0553
Echinococcus multilocularis cyclin dependent kinase 9 0.0147 0.1031 0.0692

Activities

Activity type Activity value Assay description Source Reference
Stabilty (ADMET) Activity of calf mucosal adenosine deaminase assessed as enzyme-mediated drug metabolism by liquid chromatographic analysis ChEMBL. 218013

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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