Detailed information for compound 1825773

Basic information

Technical information
  • TDR Targets ID: 1825773
  • Name: 3-phenyl-8-(3-piperidin-1-ylpropoxy)-1,2,4,5- tetrahydro-3-benzazepine
  • MW: 364.524 | Formula: C24H32N2O
  • H donors: 0 H acceptors: 0 LogP: 5.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)CCCOc1ccc2c(c1)CCN(CC2)c1ccccc1
  • InChi: 1S/C24H32N2O/c1-3-8-23(9-4-1)26-17-12-21-10-11-24(20-22(21)13-18-26)27-19-7-16-25-14-5-2-6-15-25/h1,3-4,8-11,20H,2,5-7,12-19H2
  • InChiKey: IOCXEAYYBZJHHK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-phenyl-8-[3-(1-piperidyl)propoxy]-1,2,4,5-tetrahydro-3-benzazepine
  • 3-phenyl-8-(3-piperidinopropoxy)-1,2,4,5-tetrahydro-3-benzazepine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histamine receptor H3 Starlite/ChEMBL References
Homo sapiens histamine receptor H1 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
Trypanosoma brucei endonuclease G, putative 0.0294 0 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0412 0.1553 0.6061
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0489 0.2563 0.2563
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0294 0 0.5
Onchocerca volvulus 0.1057 1 1
Schistosoma mansoni hypothetical protein 0.1057 1 1
Echinococcus multilocularis ectonucleotide 0.0412 0.1553 0.6061
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0294 0 0.5
Trypanosoma brucei endonuclease G, putative 0.0294 0 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0489 0.2563 0.2563
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0489 0.2563 0.2563
Loa Loa (eye worm) hypothetical protein 0.0489 0.2563 0.1195
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1057 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0489 0.2563 0.2563
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0294 0 0.5
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0294 0 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0412 0.1553 0.6061
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0489 0.2563 0.2563
Echinococcus granulosus ectonucleotide 0.0412 0.1553 0.6061
Trypanosoma cruzi endonuclease G, putative 0.0294 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0489 0.2563 0.1195
Trypanosoma cruzi endonuclease G, putative 0.0294 0 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1
Leishmania major endonuclease G, putative 0.0294 0 0.5
Trypanosoma brucei endonuclease G, putative 0.0294 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0489 0.2563 0.1195
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0489 0.2563 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6 Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR assay ChEMBL. 24161834
Ki (functional) = 8 Antagonist activity at human histamine H3 receptor expressed in CHOK1 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay ChEMBL. 24161834

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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