Detailed information for compound 228043

Basic information

Technical information
  • TDR Targets ID: 228043
  • Name: 2-(5-amino-7-oxo-3H-triazolo[4,5-d]pyrimidin- 2-yl)ethoxymethylphosphonic acid
  • MW: 290.173 | Formula: C7H11N6O5P
  • H donors: 4 H acceptors: 8 LogP: -2.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(O)c2c(n1)nn(n2)CCOCP(=O)(O)O
  • InChi: 1S/C7H11N6O5P/c8-7-9-5-4(6(14)10-7)11-13(12-5)1-2-18-3-19(15,16)17/h1-3H2,(H2,15,16,17)(H3,8,9,10,12,14)
  • InChiKey: SSTQZCDZTDBFHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(5-azanyl-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)ethoxymethylphosphonic acid
  • 2-(5-amino-7-keto-3H-triazolo[4,5-d]pyrimidin-2-yl)ethoxymethylphosphonic acid

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
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0 0.5
Brugia malayi nuclear hormone receptor 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0017 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0017 0 0.5
Brugia malayi ecdysteroid receptor 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0017 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0 0.5
Brugia malayi steroid hormone receptor 0.0017 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0127 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0017 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0017 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0017 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0017 0 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0118 0.9188 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0017 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0017 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0017 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0017 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0 0.5
Onchocerca volvulus 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 40 ug ml-1 Antiviral activity against cytomegalovirus (CMV) Davis strain in HEL cell culture ChEMBL. 8831773
IC50 (functional) = 40 ug ml-1 Antiviral activity in TK+ varicella zoster virus (VZV) OKA strain in HEL cell culture ChEMBL. 8831773
IC50 (functional) = 40 ug ml-1 Antiviral activity in TK+ varicella zoster virus (VZV) YS strain in HEL cell culture ChEMBL. 8831773
IC50 (functional) > 40 ug ml-1 Antiviral activity in TK+ varicella zoster virus (VZV) 07/1 strain in HEL cell culture ChEMBL. 8831773
IC50 (functional) = 40 ug ml-1 Antiviral activity in TK+ varicella zoster virus (VZV) YS/R strain in HEL cell culture ChEMBL. 8831773
IC50 (functional) > 40 ug ml-1 Compound was tested for anti-retroviral activity against moloney murine sarcoma virus (MSV) in murine C3H/3T3 embryo fibroblast cell culture ChEMBL. 8831773
IC50 (functional) > 100 ug ml-1 Antiviral activity against cytomegalovirus (CMV) AD169 strain in HEL cell culture ChEMBL. 8831773
IC50 (functional) > 100 ug ml-1 Inhibition of human immunodeficiency virus-1 (HIV-1) induced cytopathicity in human MT-4 cells ChEMBL. 8831773
IC50 (functional) > 100 ug ml-1 Inhibition of human immunodeficiency virus-1 (HIV-1) induced cytopathicity in CEM cells ChEMBL. 8831773
IC50 (functional) > 100 ug ml-1 Inhibition of human immunodeficiency virus-2 (HIV-2) induced cytopathicity in MT-4 cells ChEMBL. 8831773
IC50 (functional) > 100 ug ml-1 Inhibition of human immunodeficiency virus-2 (HIV-2) induced cytopathicity in CEM cells ChEMBL. 8831773
IC50 (functional) > 100 ug ml-1 Inhibition of human immunodeficiency virus-2 (HIV-2) induced cytopathicity in MT-4 cells ChEMBL. 8831773
IC50 (functional) = 150 ug ml-1 Antiviral activity against vaccinia virus (VV) in E6SM cell culture ChEMBL. 8831773
IC50 (functional) > 300 ug ml-1 Antiviral activity against thymidine kinase deficient herpes simplex virus-1 HSV-1 TK- VMW-1837 strain in E6SM cell culture ChEMBL. 8831773
IC50 (functional) > 300 ug ml-1 Antiviral activity inherpes simple virus-2 (HSV-2) Lyons strain in E6SM cell culture ChEMBL. 8831773
IC50 (functional) > 400 ug ml-1 Antiviral activity against herpes simplex virus-1 KOS in E6SM cell culture ChEMBL. 8831773
IC50 (functional) > 400 ug ml-1 Antiviral activity against thymidine kinase deficient herpes simplex virus-1 HSV-1 TK- B2006 strain in E6SM cell culture ChEMBL. 8831773
IC50 (functional) > 400 ug ml-1 Antiviral activity in herpes simplex virus-2 (HSV-2) G strain in E6SM cell culture ChEMBL. 8831773
IC50 (functional) > 400 ug ml-1 Antiviral activity inherpes simplex virus-2 (HSV-2) 196 strain in E6SM cell culture ChEMBL. 8831773

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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