Detailed information for compound 605957

Basic information

Technical information
  • TDR Targets ID: 605957
  • Name: 5-pyrazin-2-yl-2,4-di(pyridin-3-yl)pyrimidine
  • MW: 312.328 | Formula: C18H12N6
  • H donors: 0 H acceptors: 6 LogP: 0.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cn1)c1nc(ncc1c1cnccn1)c1cccnc1
  • InChi: 1S/C18H12N6/c1-3-13(9-19-5-1)17-15(16-12-21-7-8-22-16)11-23-18(24-17)14-4-2-6-20-10-14/h1-12H
  • InChiKey: SQZLCULNMYEEGI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-pyrazin-2-yl-2,4-bis(3-pyridyl)pyrimidine
  • 5-(2-pyrazinyl)-2,4-bis(3-pyridyl)pyrimidine
  • Peakdale1_000941

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
Echinococcus multilocularis tumor protein p63 0.034 0.8604 0.8596
Loa Loa (eye worm) TAR-binding protein 0.0393 1 1
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0917 0.0917
Plasmodium vivax glutathione reductase, putative 0.005 0.0917 1
Schistosoma mansoni tar DNA-binding protein 0.0393 1 1
Onchocerca volvulus 0.005 0.0919 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2743 0.2743
Schistosoma mansoni intermediate filament proteins 0.0028 0.0345 0.029
Brugia malayi MH2 domain containing protein 0.0119 0.2743 0.2743
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0043 0.0742 0.0689
Onchocerca volvulus 0.0043 0.0742 0.6911
Echinococcus granulosus solute carrier family 5 0.0043 0.0742 0.0689
Loa Loa (eye worm) hypothetical protein 0.0028 0.0332 0.0332
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0057 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.2602 0.8837
Toxoplasma gondii thioredoxin reductase 0.005 0.0917 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.2936 1
Treponema pallidum NADH oxidase 0.0017 0.0057 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0917 0.2985
Schistosoma mansoni high-affinity choline transporter 0.0391 0.9942 0.9942
Loa Loa (eye worm) hypothetical protein 0.0391 0.9942 0.9942
Loa Loa (eye worm) glutathione reductase 0.005 0.0917 0.0917
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0043 0.0742 0.0689
Echinococcus multilocularis musashi 0.0028 0.0345 0.029
Loa Loa (eye worm) hypothetical protein 0.0043 0.0742 0.0742
Echinococcus granulosus lamin 0.0028 0.0345 0.029
Echinococcus multilocularis lamin 0.0028 0.0345 0.029
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0345 0.0345
Loa Loa (eye worm) RNA binding protein 0.0393 1 1
Echinococcus granulosus tar DNA binding protein 0.0393 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.2936 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2743 0.2743
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0043 0.0742 0.0689
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.2936 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0345 0.0345
Schistosoma mansoni tar DNA-binding protein 0.0393 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.2602 0.8837
Echinococcus multilocularis tar DNA binding protein 0.0393 1 1
Echinococcus granulosus high affinity choline transporter 1 0.0391 0.9942 0.9942
Brugia malayi RNA recognition motif domain containing protein 0.0393 1 1
Schistosoma mansoni inositol transporter 0.0043 0.0742 0.0689
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0057 0.5
Brugia malayi glutathione reductase 0.005 0.0917 0.0917
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0057 0.5
Schistosoma mansoni tar DNA-binding protein 0.0393 1 1
Schistosoma mansoni lamin 0.0028 0.0345 0.029
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0043 0.0742 0.0689
Brugia malayi Sodium:solute symporter family protein 0.0043 0.0742 0.0742
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0917 1
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0043 0.0742 0.7968
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0057 0.5
Echinococcus multilocularis high affinity choline transporter 1 0.0391 0.9942 0.9942
Brugia malayi GH02984p 0.0391 0.9942 0.9942
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0057 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.2602 0.8837
Echinococcus granulosus lamin dm0 0.0028 0.0345 0.029
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.2602 0.8837
Leishmania major trypanothione reductase 0.005 0.0917 1
Brugia malayi intermediate filament protein 0.0028 0.0345 0.0345
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.2936 1
Echinococcus granulosus sodium:myo inositol cotransporter 0.0043 0.0742 0.0689
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0057 0.5
Trypanosoma brucei trypanothione reductase 0.005 0.0917 1
Plasmodium falciparum glutathione reductase 0.005 0.0917 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0345 0.029
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0917 0.0864
Brugia malayi TAR-binding protein 0.0393 1 1
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0057 0.5
Echinococcus multilocularis solute carrier family 5 0.0043 0.0742 0.0689
Echinococcus granulosus tumor protein p63 0.034 0.8604 0.8596
Loa Loa (eye worm) hypothetical protein 0.005 0.0919 0.0919
Echinococcus granulosus sodium:glucose cotransporter 2 0.0043 0.0742 0.0689
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0057 0.5
Schistosoma mansoni lamin 0.0028 0.0345 0.029
Echinococcus multilocularis lamin dm0 0.0028 0.0345 0.029
Brugia malayi Thioredoxin reductase 0.005 0.0917 0.0917
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0345 0.0345
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0057 0.5
Plasmodium falciparum thioredoxin reductase 0.005 0.0917 1
Mycobacterium tuberculosis Probable reductase 0.0113 0.2602 0.8837
Schistosoma mansoni sodium/solute symporter 0.0043 0.0742 0.0689
Schistosoma mansoni tar DNA-binding protein 0.0393 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0393 1 1
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0917 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0917 0.0864
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0057 0.0057
Schistosoma mansoni tar DNA-binding protein 0.0393 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.2602 0.8837
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0919 0.0867
Schistosoma mansoni inositol transporter 0.0043 0.0742 0.0689
Echinococcus granulosus sodium:glucose cotransporter 0.0043 0.0742 0.0689
Loa Loa (eye worm) hypothetical protein 0.0028 0.0345 0.0345

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 10 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 10 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) > 0.374 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) > 0.374 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) > 1.25 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) > 1.25 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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