Detailed information for compound 73227

Basic information

Technical information
  • TDR Targets ID: 73227
  • Name: 3-[2-(6-aminopurin-9-yl)ethyl]-2-(hydroxymeth yl)-1,3-thiazolidin-4-one
  • MW: 294.333 | Formula: C11H14N6O2S
  • H donors: 2 H acceptors: 5 LogP: -0.93 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1SCC(=O)N1CCn1cnc2c1ncnc2N
  • InChi: 1S/C11H14N6O2S/c12-10-9-11(14-5-13-10)16(6-15-9)1-2-17-7(19)4-20-8(17)3-18/h5-6,8,18H,1-4H2,(H2,12,13,14)
  • InChiKey: VWTANYGZAGGZFH-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[2-(6-aminopurin-9-yl)ethyl]-2-(hydroxymethyl)thiazolidin-4-one
  • 3-[2-(6-aminopurin-9-yl)ethyl]-2-(hydroxymethyl)-4-thiazolidinone
  • 3-(2-adenin-9-ylethyl)-2-methylol-thiazolidin-4-one
  • 3-[2-(6-amino-9-purinyl)ethyl]-2-(hydroxymethyl)-4-thiazolidinone
  • 3-[2-(6-aminopurin-9-yl)ethyl]-2-methylol-thiazolidin-4-one
  • 181507-39-1
  • 1-[(2-HOCH2-4-oxo-3-thiazol)Et]adenine
  • 4-Thiazolidinone, 3-[2-(6-amino-9H-purin-9-yl)ethyl]-2-(hydroxymethyl)-
  • AIDS-043361
  • AIDS043361
  • 1-((2-HOCH2-4-oxo-3-thiazol)Et)adenine
  • 4-Thiazolidinone, 3-(2-(6-amino-9H-purin-9-yl)ethyl)-2-(hydroxymethyl)-

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
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.1509 1 1
Loa Loa (eye worm) adenosylhomocysteinase 0.1509 1 1
Echinococcus granulosus adenosylhomocysteinase 0.1509 1 1
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.1509 1 0.5
Entamoeba histolytica adenosylhomocysteinase, putative 0.1509 1 1
Treponema pallidum adenosine deaminase 0.0088 0 0.5
Schistosoma mansoni adenosylhomocysteinase 0.0934 0.5952 0.5952
Toxoplasma gondii adenosylhomocysteinase, putative 0.1509 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0934 0.5952 0.5952
Schistosoma mansoni adenosylhomocysteinase 0.1509 1 1
Onchocerca volvulus Adenosine deaminase homolog 0.0088 0 0.5
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.1509 1 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.1509 1 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0474 0.2714 0.2714
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.1509 1 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.1509 1 1
Echinococcus multilocularis adenosylhomocysteinase 0.1509 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0934 0.5952 0.5952
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.1509 1 1
Plasmodium falciparum adenosylhomocysteinase 0.1509 1 1
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.1509 1 0.5
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.1509 1 0.5
Leishmania major S-adenosylhomocysteine hydrolase 0.1509 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0934 0.5952 0.5952
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.1509 1 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 100 uM Compound was tested for its cytotoxicity against HIV-1 infected MT-4 cell lines ChEMBL. No reference
CC50 (functional) = 100 uM Compound was tested for its cytotoxicity against HIV-1 infected MT-4 cell lines ChEMBL. No reference
CC50 (functional) = 200 uM Compound was tested for its cytotoxicity against against duck hepatitis B virus in duck fetal hepatocytes culture ChEMBL. No reference
IC50 (functional) = 2 uM Compound was tested for its antiviral activity against hepatitis B virus(DHBV) in duck fetal hepatocytes culture ChEMBL. No reference
IC50 (functional) = 10 uM Compound was tested to inhibit HIV-1 replication in MT-4 cell lines ; value may range from 1 - 10 ChEMBL. No reference
IC50 (functional) = 10 uM Compound was tested to inhibit HIV-1 replication in MT-4 cell lines ; value may range from 1 - 10 ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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