Detailed information for compound 313665

Basic information

Technical information
  • TDR Targets ID: 313665
  • Name: 2-(4-methylpiperazin-1-yl)pyrimido[2,1-a]isoq uinolin-4-one
  • MW: 294.351 | Formula: C17H18N4O
  • H donors: 0 H acceptors: 1 LogP: 1.39 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1cc(=O)n2c(n1)c1ccccc1cc2
  • InChi: 1S/C17H18N4O/c1-19-8-10-20(11-9-19)15-12-16(22)21-7-6-13-4-2-3-5-14(13)17(21)18-15/h2-7,12H,8-11H2,1H3
  • InChiKey: RSXPGWJTZOEXDV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-methyl-1-piperazinyl)-4-pyrimido[2,1-a]isoquinolinone
  • 2-(4-methylpiperazino)pyrimido[2,1-a]isoquinolin-4-one
  • 2-(4-methylpiperazin-1-yl)pyrimido[2,3-a]isoquinolin-4-one
  • 2-(4-methyl-1-piperazinyl)-4-pyrimido[2,3-a]isoquinolinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase, DNA-activated, catalytic polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Echinococcus granulosus DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
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
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0313 0.5024 0.5024
Loa Loa (eye worm) glutamate receptor 2 0.0414 0.7178 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0493 0.8858 0.8858
Echinococcus multilocularis glutamate receptor 2 0.0493 0.8858 0.8858
Schistosoma mansoni glutamate receptor NMDA 0.0414 0.7178 0.8103
Schistosoma mansoni hypothetical protein 0.0153 0.1598 0.1803
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0393 0.6722 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.0664 1
Schistosoma mansoni glutamate receptor kainate 0.0414 0.7178 0.8103
Schistosoma mansoni glutamate receptor kainate 0.0414 0.7178 0.8103
Echinococcus granulosus glutamate NMDA receptor subunit 0.0414 0.7178 0.7178
Brugia malayi Glutamate receptor 1 precursor 0.0414 0.7178 1
Echinococcus multilocularis NMDA receptor 0.0153 0.1598 0.1598
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0153 0.1598 0.1598
Echinococcus granulosus glutamate receptor 2 0.0339 0.558 0.558
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0153 0.1598 0.1598
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0079 0 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0493 0.8858 0.8858
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0153 0.1598 0.1598
Leishmania major hypothetical protein, conserved 0.0114 0.0754 1
Loa Loa (eye worm) glutamate receptor 1 0.0414 0.7178 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0393 0.6722 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0493 0.8858 0.8858
Entamoeba histolytica hypothetical protein 0.0079 0 0.5
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0153 0.1598 0.1598
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0493 0.8858 0.8858
Schistosoma mansoni glutamate receptor AMPA 0.0414 0.7178 0.8103
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0493 0.8858 0.8858
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0546 1 1
Schistosoma mansoni glutamate receptor kainate 0.0414 0.7178 0.8103
Schistosoma mansoni glutamate receptor NMDA 0.0493 0.8858 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0393 0.6722 0.5
Schistosoma mansoni ATP-binding cassette transporter 0.0414 0.7178 0.8103
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0313 0.5024 0.5024
Echinococcus multilocularis glutamate receptor 2 0.0339 0.558 0.558
Onchocerca volvulus 0.0079 0 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0493 0.8858 0.8858
Brugia malayi Glutamate receptor 2 precursor 0.0414 0.7178 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0153 0.1598 0.1598
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0153 0.1598 0.1598
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0393 0.6722 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0493 0.8858 0.8858
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0493 0.8858 0.8858
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0393 0.6722 0.5
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0414 0.7178 0.7178
Echinococcus multilocularis glutamate receptor 2 0.0414 0.7178 0.7178
Onchocerca volvulus 0.0079 0 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0414 0.7178 0.8103
Chlamydia trachomatis glutamine binding protein 0.0393 0.6722 0.5
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0153 0.1598 0.1598
Echinococcus granulosus glutamate receptor 2 0.0493 0.8858 0.8858
Echinococcus multilocularis nmda type glutamate receptor 0.0546 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of DNA dependent protein kinase isolated from HeLa cells ChEMBL. 15658870
IC50 (binding) > 10 uM Inhibition of DNA dependent protein kinase isolated from HeLa cells ChEMBL. 15658870

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.