Detailed information for compound 443623

Basic information

Technical information
  • TDR Targets ID: 443623
  • Name: (2R,3S,5R)-5-[6-(furan-2-yl)purin-9-yl]-2-(hy droxymethyl)oxolan-3-ol
  • MW: 302.285 | Formula: C14H14N4O4
  • H donors: 2 H acceptors: 5 LogP: 0.18 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2c1ccco1
  • InChi: 1S/C14H14N4O4/c19-5-10-8(20)4-11(22-10)18-7-17-13-12(9-2-1-3-21-9)15-6-16-14(13)18/h1-3,6-8,10-11,19-20H,4-5H2/t8-,10+,11+/m0/s1
  • InChiKey: JDTZFMGICBFVSZ-JMJZKYOTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R,3S,5R)-5-[6-(2-furyl)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • (2R,3S,5R)-5-[6-(2-furyl)-9-purinyl]-2-(hydroxymethyl)-3-tetrahydrofuranol
  • (2R,3S,5R)-5-[6-(2-furyl)purin-9-yl]-2-methylol-tetrahydrofuran-3-ol
  • (2R,3S,5R)-5-(6-furan-2-ylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

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
Entamoeba histolytica methionine aminopeptidase, putative 0.0638 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0638 1 1
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0123 0.1513 0.1513
Echinococcus multilocularis gamma secretase subunit aph 1 0.0167 0.2246 0.1529
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0082 0.0847 0.0847
Leishmania major methionine aminopeptidase 2, putative 0.0638 1 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0123 0.1513 0.0728
Trypanosoma cruzi aminopeptidase P1, putative 0.0082 0.0847 0.0299
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0082 0.0847 0.0847
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0638 1 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0123 0.1513 0.0728
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0123 0.1513 0.1005
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0082 0.0847 0.0299
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0107 0.1248 1
Trypanosoma cruzi aminopeptidase P, putative 0.0082 0.0847 0.0299
Trypanosoma cruzi Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative 0.0082 0.0847 0.0299
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0107 0.1248 0.1248
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0123 0.1513 0.0728
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0082 0.0847 0.0847
Trypanosoma brucei Metallopeptidase family M24, putative 0.0082 0.0847 0.0847
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0638 1 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0123 0.1513 0.0728
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0107 0.1248 1
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0082 0.0847 0.0847
Toxoplasma gondii methionine aminopeptidase 0.0107 0.1248 0.0438
Trypanosoma brucei Facilitates chromatin transcription complex subunit spt16 0.0082 0.0847 0.0847
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0638 1 1
Plasmodium vivax methionine aminopeptidase 2, putative 0.0638 1 1
Mycobacterium ulcerans methionine aminopeptidase 0.0107 0.1248 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0123 0.1513 0.0728
Toxoplasma gondii methionine aminopeptidase 0.0123 0.1513 0.0728
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0107 0.1248 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0082 0.0847 0.0299
Schistosoma mansoni gamma-secretase subunit aph-1 0.0167 0.2246 0.2246
Treponema pallidum methionine aminopeptidase (map) 0.0107 0.1248 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0082 0.0847 0.0299
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0082 0.0847 0.0847
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0123 0.1513 0.1513
Schistosoma mansoni peptidase 0.0082 0.0847 0.0847
Giardia lamblia Methionine aminopeptidase 0.0638 1 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0107 0.1248 0.0438
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0107 0.1248 1
Echinococcus granulosus gamma secretase subunit aph 1 0.0167 0.2246 0.1529
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0638 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0638 1 1
Trypanosoma brucei Aph-1 protein, putative 0.0065 0.0565 0.0565
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0123 0.1513 0.1005
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0638 1 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0638 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0107 0.1248 0.1248
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0107 0.1248 1
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0082 0.0847 0.0847
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0638 1 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0082 0.0847 0.0847
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0107 0.1248 0.0438
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0082 0.0847 0.0847
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0638 1 1
Chlamydia trachomatis methionine aminopeptidase 0.0107 0.1248 1
Echinococcus granulosus methionyl aminopeptidase 2 0.0638 1 1
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0167 0.2246 0.1529
Trypanosoma brucei methionine aminopeptidase, putative 0.0123 0.1513 0.1513
Plasmodium falciparum methionine aminopeptidase 2 0.0638 1 1
Brugia malayi Methionine aminopeptidase protein type I 0.0123 0.1513 0.0728
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0082 0.0847 0.0299
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0107 0.1248 1
Brugia malayi gamma-secretase subunit aph-1 0.0167 0.2246 0.1529
Loa Loa (eye worm) initiation factor 2-associated protein 0.0638 1 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0638 1 1
Onchocerca volvulus 0.0096 0.1069 0.0243
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0082 0.0847 0.0299
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0082 0.0847 0.0299
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0082 0.0847 0.0847
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0107 0.1248 0.0438
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0123 0.1513 0.0728
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0638 1 1
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0107 0.1248 0.0438

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 330 uM Cytostatic activity against human HT1080 cells by MTT assay ChEMBL. 17804231
IC50 (functional) = 330 uM Cytostatic activity against human HT1080 cells by MTT assay ChEMBL. 17804231
Inhibition (functional) < 50 % Cytostatic activity against human CCRFCEM cells at 500 uM by MTT assay ChEMBL. 17804231
Inhibition (ADMET) < 50 % Cytostatic activity against human WI38 cells at 500 uM by MTT assay ChEMBL. 17804231
Inhibition (functional) < 50 % Cytostatic activity against human CCRFCEM cells at 500 uM by MTT assay ChEMBL. 17804231

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

1 literature reference was collected for this gene.

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