Detailed information for compound 592218

Basic information

Technical information
  • TDR Targets ID: 592218
  • Name: 2-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]-1H-b enzimidazole
  • MW: 311.34 | Formula: C19H13N5
  • H donors: 2 H acceptors: 3 LogP: 3.38 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1cc(nc(c1)c1nc2c([nH]1)cccc2)c1nc2c([nH]1)cccc2
  • InChi: 1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-11H,(H,21,22)(H,23,24)
  • InChiKey: JBKICBDXAZNSKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole
  • SR-01000636096-1
  • ST5319643
  • 1H-Benzimidazole, 2,2'-(2,6-pyridinediyl)bis-
  • AIDS-262998
  • AIDS262998
  • ZINC00174021
  • 2,6-Bis(2-benzimidazolyl)pyridine
  • 379433_ALDRICH

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 nuclear hormone receptor nor-1/nor-2 0.00416824 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0042 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00416824 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00416824 0.5 0.5
Schistosoma mansoni coup transcription factor 0.00416824 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00416824 0.5 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00416824 0.5 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0042 0.5 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.00416824 0.5 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0042 0.5 0.5
Echinococcus multilocularis FTZ F1 alpha 0.00416824 0.5 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.00416824 0.5 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0042 0.5 0.5
Schistosoma mansoni coup transcription factor 0.0042 0.5 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0042 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.5 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0042 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00416824 0.5 0.5
Brugia malayi nuclear hormone receptor 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.00416824 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.00416824 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.00416824 0.5 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.00416824 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0042 0.5 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.00416824 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00416824 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00416824 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.00416824 0.5 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.00416824 0.5 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0042 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00416824 0.5 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0042 0.5 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0042 0.5 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0042 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.00416824 0.5 0.5
Brugia malayi steroid hormone receptor 0.0042 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0042 0.5 0.5
Brugia malayi nuclear hormone receptor 0.00416824 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0042 0.5 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.00416824 0.5 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.00416824 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.00416824 0.5 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0042 0.5 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.00416824 0.5 0.5
Onchocerca volvulus Bile acid receptor homolog 0.00416824 0.5 0.5
Echinococcus granulosus FTZ F1 alpha 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0042 0.5 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.00416824 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00416824 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00416824 0.5 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.00416824 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0042 0.5 0.5
Brugia malayi nuclear receptor NHR-88 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.00416824 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.00416824 0.5 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.00416824 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.5 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.00416824 0.5 0.5
Onchocerca volvulus 0.00416824 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.00416824 0.5 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0042 0.5 0.5
Onchocerca volvulus 0.0042 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.00416824 0.5 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.00416824 0.5 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.00416824 0.5 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0042 0.5 0.5
Schistosoma mansoni nuclear hormone receptor 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0042 0.5 0.5
Brugia malayi steroid hormone receptor 0.00416824 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.5 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0042 0.5 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0042 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.00416824 0.5 0.5
Echinococcus granulosus FTZ F1 alpha 0.00416824 0.5 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.00416824 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.00416824 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0042 0.5 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0042 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00416824 0.5 0.5
Loa Loa (eye worm) steroid hormone receptor 0.00416824 0.5 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0042 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00416824 0.5 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0042 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0042 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.00416824 0.5 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.00416824 0.5 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0042 0.5 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0042 0.5 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0042 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0042 0.5 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.00416824 0.5 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0042 0.5 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0042 0.5 0.5
Brugia malayi ecdysteroid receptor 0.00416824 0.5 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0042 0.5 0.5
Brugia malayi Steroid receptor seven-up type 2 0.00416824 0.5 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.00416824 0.5 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0042 0.5 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.00416824 0.5 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0042 0.5 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.00416824 0.5 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.00416824 0.5 0.5
Schistosoma mansoni nuclear hormone receptor 0.0042 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.5 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.00416824 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00416824 0.5 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0042 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00416824 0.5 0.5
Brugia malayi nuclear receptor NHR-88 0.00416824 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0042 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) = 47.54 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 = 47.54 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.686 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.686 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.916 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.916 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.02985 IFI promiscuity index Novartis-GNF Malaria Box. No reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 7 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 24 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 87 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 0.75 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 0 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 7 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 24 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 87 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 5.95 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 1.11512 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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

1 literature reference was collected for this gene.

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