Detailed information for compound 142372

Basic information

Technical information
  • TDR Targets ID: 142372
  • Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(benzimidazo l-1-yl)propan-2-ol
  • MW: 426.553 | Formula: C27H30N4O
  • H donors: 1 H acceptors: 2 LogP: 3.79 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(Cn1cnc2c1cccc2)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
  • InChi: 1S/C27H30N4O/c32-24(20-31-21-28-25-13-7-8-14-26(25)31)19-29-15-17-30(18-16-29)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,24,27,32H,15-20H2
  • InChiKey: VJQGEEWWQQUPMG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-benzhydryl-1-piperazinyl)-3-(1-benzimidazolyl)-2-propanol
  • 1-(4-benzhydrylpiperazino)-3-(benzimidazol-1-yl)propan-2-ol
  • 1-(benzimidazol-1-yl)-3-[4-[di(phenyl)methyl]piperazin-1-yl]propan-2-ol
  • 1-(1-benzimidazolyl)-3-[4-[di(phenyl)methyl]-1-piperazinyl]propan-2-ol

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 granulosus hepatocyte nuclear factor 4 alpha 0.0042 0.0013 0.0013
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0042 0.0013 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0393 0.0393
Schistosoma mansoni thyroid hormone receptor 0.0187 0.9433 0.9433
Schistosoma mansoni coup transcription factor 0.0042 0.0013 0.0013
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0042 0.0013 0.0013
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0145 0.6727 0.6727
Brugia malayi Steroid receptor seven-up type 2 0.0042 0.0013 0.0034
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0042 0.0013 0.0013
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0042 0.0013 0.0013
Entamoeba histolytica hypothetical protein 0.0041 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0393 0.0393
Brugia malayi nuclear hormone receptor 0.0042 0.0013 0.0034
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.0013 0.0013
Brugia malayi hypothetical protein 0.0102 0.3908 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0042 0.0013 0.0013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.0013 0.0013
Brugia malayi nuclear receptor NHR-88 0.0042 0.0013 0.0034
Schistosoma mansoni steroid hormone receptor ad4bp 0.0042 0.0013 0.0013
Brugia malayi Nuclear hormone receptor-like 1 0.0042 0.0013 0.0034
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.0013 0.0013
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0042 0.0013 0.0013
Brugia malayi ecdysteroid receptor 0.0042 0.0013 0.0034
Schistosoma mansoni eyes absent homolog 0.0102 0.3908 0.3908
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1042 0.2666
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0042 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0042 0.0013 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0042 0.0013 0.0034
Echinococcus multilocularis thyroid hormone receptor alpha 0.0187 0.9433 0.9433
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0042 0.0013 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.0013 0.0034
Entamoeba histolytica hypothetical protein 0.0041 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0042 0.0013 0.0013
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.0013 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.0013 0.0034
Loa Loa (eye worm) hypothetical protein 0.0102 0.3908 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0393 0.0393
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0042 0.0013 0.0034
Echinococcus granulosus ecdysone induced protein 78C 0.0042 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0042 0.0013 0.0034
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0042 0.0013 0.0013
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.0013 0.0034
Schistosoma mansoni RAR-like nuclear receptor 0.0042 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.0013 0.0034
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1042 0.2666
Brugia malayi photoreceptor-specific nuclear receptor 0.0042 0.0013 0.0034
Schistosoma mansoni thyroid hormone receptor 0.0187 0.9433 0.9433
Echinococcus multilocularis geminin 0.0196 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0042 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0196 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0042 0.0013 0.0013
Echinococcus multilocularis ecdysone induced protein 78C 0.0042 0.0013 0.0013
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0145 0.6727 0.6727
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1042 0.2641
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0042 0.0013 0.0013
Echinococcus multilocularis FTZ F1 alpha 0.0042 0.0013 0.0013
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.0013 0.0034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0393 0.0393
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0042 0.0013 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0393 0.0393
Entamoeba histolytica hypothetical protein 0.0041 0 0.5
Brugia malayi steroid hormone receptor 0.0042 0.0013 0.0034
Entamoeba histolytica hypothetical protein 0.0041 0 0.5
Onchocerca volvulus 0.0042 0.0013 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.3908 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0042 0.0013 0.0034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0393 0.0393
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0042 0.0013 0.0034
Loa Loa (eye worm) hypothetical protein 0.0058 0.1042 0.2641
Onchocerca volvulus Bile acid receptor homolog 0.0042 0.0013 0.5
Echinococcus granulosus FTZ F1 alpha 0.0042 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0196 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0042 0.0013 0.0034
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0042 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0145 0.6727 0.6727
Onchocerca volvulus Protein ultraspiracle homolog 0.0042 0.0013 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0042 0.0013 0.0013
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0393 0.0393
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0393 0.0975
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0393 0.1006
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0042 0.0013 0.0013

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = 42 % Inactivation process of guinea pig cardiac Na channels expressed in xenopus oocytes was determined by measuring increase in current integral in presence of compound versus control at 10 uM ChEMBL. 7629798
Change (functional) = 42 % Inactivation process of guinea pig cardiac Na channels expressed in xenopus oocytes was determined by measuring increase in current integral in presence of compound versus control at 10 uM ChEMBL. 7629798

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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