Detailed information for compound 261487

Basic information

Technical information
  • TDR Targets ID: 261487
  • Name: 2-(benzimidazol-1-yl)aniline
  • MW: 209.247 | Formula: C13H11N3
  • H donors: 1 H acceptors: 1 LogP: 2.42 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccccc1n1cnc2c1cccc2
  • InChi: 1S/C13H11N3/c14-10-5-1-3-7-12(10)16-9-15-11-6-2-4-8-13(11)16/h1-9H,14H2
  • InChiKey: VVRSJOPEQZUTBU-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(1-benzimidazolyl)aniline
  • [2-(benzimidazol-1-yl)phenyl]amine
  • 1-Phenylbenzimidazole deriv. 20
  • ST070803

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 ecdysone-induced protein 78c (dr-78) 0.0145 0.0319 0.1071
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0274 0.2979 0.2979
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0274 0.2979 1
Echinococcus granulosus FTZ F1 alpha 0.0274 0.2979 1
Schistosoma mansoni retinoic acid receptor RXR 0.0274 0.2979 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0274 0.2979 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0274 0.2979 1
Brugia malayi nuclear receptor NHR-88 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0319 0.1071
Echinococcus multilocularis survival motor neuron protein 1 0.0179 0.1032 0.1032
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0319 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0274 0.2979 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0274 0.2979 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0274 0.2979 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0274 0.2979 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0274 0.2979 0.2979
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0274 0.2979 1
Echinococcus granulosus survival motor neuron protein 1 0.0179 0.1032 0.3464
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0274 0.2979 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0274 0.2979 1
Echinococcus multilocularis FTZ F1 alpha 0.0274 0.2979 0.2979
Onchocerca volvulus 0.0274 0.2979 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0274 0.2979 1
Loa Loa (eye worm) steroid hormone receptor 0.0274 0.2979 1
Brugia malayi hypothetical protein 0.0179 0.1032 0.3464
Schistosoma mansoni thyroid hormone receptor 0.0274 0.2979 1
Brugia malayi Steroid receptor seven-up type 2 0.0274 0.2979 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0274 0.2979 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0274 0.2979 1
Schistosoma mansoni thyroid hormone receptor 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.2979 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0274 0.2979 1
Echinococcus granulosus ecdysone induced protein 78C 0.0274 0.2979 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0319 0.1071
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0274 0.2979 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0274 0.2979 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0274 0.2979 0.2979
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0145 0.0319 0.1071
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0274 0.2979 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0145 0.0319 0.1071
Schistosoma mansoni steroid hormone receptor ad4bp 0.0274 0.2979 1
Brugia malayi nuclear hormone receptor 0.0274 0.2979 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0274 0.2979 0.2979
Brugia malayi Nuclear hormone receptor-like 1 0.0145 0.0319 0.1071
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0274 0.2979 0.2979
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.2979 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.2979 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1032 0.3464
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0274 0.2979 1
Schistosoma mansoni nuclear hormone receptor 0.0274 0.2979 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0274 0.2979 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0274 0.2979 0.2979
Loa Loa (eye worm) hypothetical protein 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0319 0.1071
Loa Loa (eye worm) hypothetical protein 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.2979 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0274 0.2979 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0274 0.2979 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0274 0.2979 0.2979
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0274 0.2979 1
Brugia malayi Nuclear hormone receptor-like 1 0.0274 0.2979 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0319 0.1071
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0274 0.2979 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0274 0.2979 1
Brugia malayi steroid hormone receptor 0.0274 0.2979 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0145 0.0319 0.1071
Brugia malayi Nuclear hormone receptor-like 1 0.0145 0.0319 0.1071
Onchocerca volvulus Bile acid receptor homolog 0.0274 0.2979 1
Brugia malayi ecdysteroid receptor 0.0274 0.2979 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0274 0.2979 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0274 0.2979 1
Brugia malayi nuclear receptor RXR 0.0145 0.0319 0.1071
Onchocerca volvulus Protein ultraspiracle homolog 0.0274 0.2979 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0274 0.2979 1
Brugia malayi hypothetical protein 0.0145 0.0319 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0274 0.2979 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0274 0.2979 1
Brugia malayi hypothetical protein 0.0145 0.0319 0.1071
Schistosoma mansoni RAR-like nuclear receptor 0.0274 0.2979 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0274 0.2979 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0145 0.0319 0.0319
Schistosoma mansoni coup transcription factor 0.0274 0.2979 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0274 0.2979 0.2979

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 50 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 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

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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