Detailed information for compound 1508309

Basic information

Technical information
  • TDR Targets ID: 1508309
  • Name: 2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-ol ate
  • MW: 174.199 | Formula: C10H10N2O
  • H donors: 1 H acceptors: 2 LogP: 2.53 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc2cccc[n+]2c(c1[O-])C
  • InChi: 1S/C10H10N2O/c1-7-10(13)8(2)12-6-4-3-5-9(12)11-7/h3-6H,1-2H3
  • InChiKey: KDTJYDLSCGZZLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-dimethyl-3-pyrido[1,2-a]pyrimidin-5-iumolate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cystic fibrosis transmembrane conductance regulator (ATP-binding cassette sub-family C, member 7) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum ATP-binding cassette, sub-family C (CFTR/MRP), member 2; Canalicular multispecific organic anion transporter; multidrug resist Get druggable targets OG5_140335 All targets in OG5_140335
Plasmodium vivax multidrug resistance-associated protein 1, putative Get druggable targets OG5_140335 All targets in OG5_140335
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 fructose-16-bisphosphatase-related 0.0323 0.9043 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0323 0.9043 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0323 0.9043 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0323 0.9043 1
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0323 0.9043 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.012 0.331 0.366
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.012 0.331 0.366
Toxoplasma gondii fructose-bisphospatase I 0.012 0.331 0.366
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0323 0.9043 1
Leishmania major 0.0323 0.9043 1
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0323 0.9043 1
Brugia malayi fructose-1,6-bisphosphatase 0.0323 0.9043 1
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.012 0.331 0.366
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.012 0.331 0.366
Toxoplasma gondii fructose-bisphospatase II 0.0323 0.9043 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 nM Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assay ChEMBL. 21397997

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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