Detailed information for compound 115579

Basic information

Technical information
  • TDR Targets ID: 115579
  • Name: N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphe noxy)propyl]butan-1-amine
  • MW: 379.538 | Formula: C24H33N3O
  • H donors: 0 H acceptors: 1 LogP: 6.29 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(CCCC)CCCOc1ccc(cc1)c1nc2n(c1)cccc2
  • InChi: 1S/C24H33N3O/c1-3-5-15-26(16-6-4-2)17-9-19-28-22-13-11-21(12-14-22)23-20-27-18-8-7-10-24(27)25-23/h7-8,10-14,18,20H,3-6,9,15-17,19H2,1-2H3
  • InChiKey: YEDJKZWDUOMBAS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-N-[3-[4-(2-imidazo[1,2-a]pyridinyl)phenoxy]propyl]-1-butanamine
  • dibutyl-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histamine receptor H3 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
Schistosoma mansoni proliferating cell nuclear antigen 0.0032 0 0.5
Giardia lamblia PcnA 0.0032 0 0.5
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.1754 0.2786 0.5
Toxoplasma gondii proliferating cell nuclear antigen PCNA1 0.0032 0 0.5
Mycobacterium ulcerans thymidine phosphorylase 0.6212 1 1
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0032 0 0.5
Entamoeba histolytica proliferating cell nuclear antigen, putative 0.0032 0 0.5
Brugia malayi proliferating cell nuclear antigen (PCNA) 0.0032 0 0.5
Trypanosoma cruzi proliferative cell nuclear antigen (PCNA), putative 0.0032 0 0.5
Loa Loa (eye worm) proliferating cell nuclear antigen 0.0032 0 0.5
Leishmania major proliferative cell nuclear antigen (PCNA), putative 0.0032 0 0.5
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0032 0 0.5
Trypanosoma cruzi proliferative cell nuclear antigen (PCNA), putative 0.0032 0 0.5
Trypanosoma brucei proliferative cell nuclear antigen (PCNA), putative 0.0032 0 0.5
Echinococcus multilocularis thymidine phosphorylase 0.6212 1 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.6212 1 1
Plasmodium vivax proliferating cell nuclear antigen, putative 0.0032 0 0.5
Plasmodium falciparum proliferating cell nuclear antigen 1 0.0032 0 0.5
Schistosoma mansoni proliferating cell nuclear antigen 0.0032 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Concentration (functional) = 0.1 % Concentration causing local anesthetic activity in mice ChEMBL. 3184128
IC50 (binding) = 2.7 uM Inhibition of [3H]-nitrendipine binding to calcium channels in Rabbit cardiac muscle. ChEMBL. 3184128
Inhibition (functional) = 5.4 % Percent inhibition of calcium-dependent potassium-polarized smooth muscle contraction in canine trachea ChEMBL. 3184128
Ki (binding) = 1300 nM Binding affinity for human histamine H3 receptor ChEMBL. 12392739
Ki (binding) = 1300 nM Binding affinity for human histamine H3 receptor ChEMBL. 12392739

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

2 literature references were collected for this gene.

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