Detailed information for compound 259072

Basic information

Technical information
  • TDR Targets ID: 259072
  • Name: 3-(benzimidazol-1-yl)benzaldehyde
  • MW: 222.242 | Formula: C14H10N2O
  • H donors: 0 H acceptors: 2 LogP: 2.56 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1cccc(c1)n1cnc2c1cccc2
  • InChi: 1S/C14H10N2O/c17-9-11-4-3-5-12(8-11)16-10-15-13-6-1-2-7-14(13)16/h1-10H
  • InChiKey: ANWNECNSXDZRMH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(1-benzimidazolyl)benzaldehyde
  • 1-Phenylbenzimidazole deriv. 35

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus platelet derived growth factor receptor, beta polypeptide Starlite/ChEMBL References

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
Loa Loa (eye worm) hypothetical protein 0.0014 0.187 0.187
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0023 1 1
Echinococcus granulosus Immunoglobulin 0.0014 0.187 0.187
Loa Loa (eye worm) hypothetical protein 0.0014 0.187 0.187
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 1 1
Echinococcus multilocularis Immunoglobulin 0.0014 0.187 0.187
Schistosoma mansoni thyroid hormone receptor 0.0023 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 1 1
Echinococcus granulosus neuroglian 0.0014 0.187 0.187
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0023 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0019 0.6131 0.6131
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.187 0.187
Echinococcus granulosus FTZ F1 alpha 0.0023 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.6131 0.6131
Schistosoma mansoni coup transcription factor 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.6131 0.6131
Loa Loa (eye worm) hypothetical protein 0.0019 0.6131 0.6131
Echinococcus multilocularis roundabout 2 0.0019 0.6131 0.6131
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Onchocerca volvulus 0.0023 1 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0014 0.187 0.187
Schistosoma mansoni cell adhesion molecule 0.0019 0.6131 0.6131
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.002 0.7318 0.7318
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 1 1
Echinococcus multilocularis Immunoglobulin 0.0014 0.187 0.187
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Echinococcus multilocularis neuroglian 0.0014 0.187 0.187
Onchocerca volvulus Bile acid receptor homolog 0.0023 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 1 1
Brugia malayi steroid hormone receptor 0.0023 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 1 1
Echinococcus granulosus twitchin 0.0014 0.187 0.187
Brugia malayi Nuclear hormone receptor-like 1 0.0023 1 1
Echinococcus granulosus roundabout 2 0.0019 0.6131 0.6131
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 1 1
Brugia malayi nuclear hormone receptor 0.0023 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0023 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0023 1 1
Schistosoma mansoni nuclear hormone receptor 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0023 1 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.187 0.187
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 1 1
Schistosoma mansoni thyroid hormone receptor 0.0023 1 1
Echinococcus granulosus defective proboscis extension response 0.0014 0.187 0.187
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.7318 0.7318
Loa Loa (eye worm) steroid hormone receptor 0.0023 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.187 0.187
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.187 0.187
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0023 1 0.5
Schistosoma mansoni nephrin 0.0014 0.187 0.187
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0014 0.187 0.187
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0014 0.187 0.187
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 1 1
Brugia malayi hypothetical protein 0.0014 0.187 0.187
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.187 0.187
Schistosoma mansoni vesicular amine transporter 0.0014 0.187 0.187
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 1 1
Brugia malayi nuclear receptor NHR-88 0.0023 1 1
Brugia malayi Fibronectin type III domain containing protein 0.0014 0.187 0.187
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.8 uM Inhibition of phosphorylation of a random glutamate/tyrosine copolymer in lysates of transfected Sf9 insect cells overexpressing mouse platelet-derived growth factor receptor beta ChEMBL. 9876115
IC50 (binding) = 6.8 uM Inhibition of phosphorylation of a random glutamate/tyrosine copolymer in lysates of transfected Sf9 insect cells overexpressing mouse platelet-derived growth factor receptor beta ChEMBL. 9876115
IC50 (binding) = 50 uM Inhibition of phosphorylation of a random glutamate/tyrosine copolymer in lysates of transfected Sf9 insect cells overexpressing human fibroblast growth factor receptor 1 ChEMBL. 9876115
IC50 (binding) = 50 uM Inhibition of phosphorylation of a random glutamate/tyrosine copolymer in lysates of transfected Sf9 insect cells overexpressing human fibroblast growth factor receptor 1 ChEMBL. 9876115

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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