Detailed information for compound 432526

Basic information

Technical information
  • TDR Targets ID: 432526
  • Name: 2-[[2-(2-hydroxyethylamino)-4,8-bis(methylami no)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethano l
  • MW: 308.34 | Formula: C12H20N8O2
  • H donors: 6 H acceptors: 6 LogP: -0.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCCNc1nc(NC)c2c(n1)c(NC)nc(n2)NCCO
  • InChi: 1S/C12H20N8O2/c1-13-9-7-8(18-11(19-9)15-3-5-21)10(14-2)20-12(17-7)16-4-6-22/h21-22H,3-6H2,1-2H3,(H2,13,15,18,19)(H2,14,16,17,20)
  • InChiKey: NQXBORDEMFGADA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[2-(2-hydroxyethylamino)-4,8-bis(methylamino)-6-pyrimido[5,4-d]pyrimidinyl]amino]ethanol
  • 2-[[2-(2-hydroxyethylamino)-4,8-bis(methylamino)pyrimido[6,5-e]pyrimidin-6-yl]amino]ethanol
  • 2-[[2-(2-hydroxyethylamino)-4,8-bis(methylamino)-6-pyrimido[6,5-e]pyrimidinyl]amino]ethanol

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
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.026 0.026
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.026 0.026
Plasmodium falciparum cysteine repeat modular protein 1 0.0041 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0 0.5
Schistosoma mansoni jumonji domain containing protein 0.0057 0.026 0.026
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1658 0.1658
Toxoplasma gondii PAN domain-containing protein 0.0341 0.477 1
Brugia malayi jmjC domain containing protein 0.0057 0.026 0.1571
Loa Loa (eye worm) hypothetical protein 0.0145 0.1658 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.026 0.026
Echinococcus granulosus muscleblind protein 0.0145 0.1658 0.1658
Toxoplasma gondii PAN domain-containing protein 0.0341 0.477 1
Onchocerca volvulus 0.0041 0 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.026 0.026
Schistosoma mansoni microtubule-associated protein tau 0.067 1 1
Brugia malayi Muscleblind-like protein 0.0145 0.1658 1
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.026 0.026
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.026 0.026
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.026 0.1571
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0041 0 0.5
Brugia malayi jmjC domain containing protein 0.0057 0.026 0.1571
Leishmania major hypothetical protein, conserved 0.0041 0 0.5
Echinococcus multilocularis microtubule associated protein 2 0.067 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1658 1
Echinococcus multilocularis muscleblind protein 0.0145 0.1658 0.1658

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) 0 Inhibition of ENT1 in human K562 cells by flow cytometric assay ChEMBL. 17636949
Inhibition (binding) = -1 % Inhibition of ENT1 in human K562 cells at 10 uM by flow cytometric assay ChEMBL. 17636949
Inhibition (binding) = -1 % Inhibition of ENT1 in human K562 cells at 10 uM by flow cytometric assay ChEMBL. 17636949
Ki (binding) 0 Inhibition of ENT1 in human K562 cells by flow cytometric assay ChEMBL. 17636949

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.