Detailed information for compound 1774721

Basic information

Technical information
  • TDR Targets ID: 1774721
  • Name: 1-[3-[4-[4-(3-piperidin-1-ylprop-1-ynyl)pheny l]phenoxy]propyl]piperidine
  • MW: 416.598 | Formula: C28H36N2O
  • H donors: 0 H acceptors: 0 LogP: 5.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)CCCOc1ccc(cc1)c1ccc(cc1)C#CCN1CCCCC1
  • InChi: 1S/C28H36N2O/c1-3-18-29(19-4-1)22-7-9-25-10-12-26(13-11-25)27-14-16-28(17-15-27)31-24-8-23-30-20-5-2-6-21-30/h10-17H,1-6,8,18-24H2
  • InChiKey: AFGAQJQQTWMXNX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[3-[4-[4-[3-(1-piperidyl)prop-1-ynyl]phenyl]phenoxy]propyl]piperidine
  • 1-[3-[4-[4-(3-piperidinoprop-1-ynyl)phenyl]phenoxy]propyl]piperidine

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
Leishmania major hydrolase, alpha/beta fold family-like protein 0.0071 0.0026 0.0061
Echinococcus multilocularis lysosomal acid lipase:cholesteryl ester 0.0071 0.0026 0.0061
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.2085 0.4228 1
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0121 0.0131 0.031
Mycobacterium tuberculosis Possible haloalkane dehalogenase 0.0086 0.0058 0.0032
Loa Loa (eye worm) hypothetical protein 0.0071 0.0026 0.0061
Entamoeba histolytica hypothetical protein 0.0071 0.0026 0.5
Onchocerca volvulus 0.2085 0.4228 1
Plasmodium vivax alpha/beta hydrolase, putative 0.0177 0.0247 1
Entamoeba histolytica alpha/beta hydrolase fold protein, putative 0.0071 0.0026 0.5
Mycobacterium leprae Probable exported protease 0.0071 0.0026 0.5
Leishmania major hydrolase-like protein 0.0071 0.0026 0.0061
Leishmania major hypothetical protein, conserved 0.0121 0.0131 0.031
Echinococcus multilocularis abhydrolase domain containing protein 0.0071 0.0026 0.0061
Leishmania major hydrolase-like protein,esterase-like protein 0.0071 0.0026 0.0061
Schistosoma mansoni hydrolase 0.0071 0.0026 0.1048
Mycobacterium leprae Probable homoserine o-acetyltransferase MetA 0.0071 0.0026 0.5
Leishmania major hydrolase, alpha/beta fold family, putative 0.0071 0.0026 0.0061
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0071 0.0026 0.5
Brugia malayi UPF0017 protein CG3488 0.0071 0.0026 0.0061
Leishmania major hypothetical protein, conserved 0.0071 0.0026 0.0061
Echinococcus multilocularis abhydrolase domain containing protein 16A 0.0071 0.0026 0.0061
Brugia malayi hydrolase, alpha/beta fold family protein 0.0071 0.0026 0.0061
Echinococcus multilocularis lysosomal acid lipase:cholesteryl ester 0.0071 0.0026 0.0061
Wolbachia endosymbiont of Brugia malayi esterase 0.0058 0 0.5
Trypanosoma brucei lipase domain protein, putative 0.2085 0.4228 1
Mycobacterium tuberculosis Probable haloalkane dehalogenase 0.0086 0.0058 0.0032
Leishmania major serine peptidase, putative,serine peptidase, Clan SC, Family S9D 0.0071 0.0026 0.0061
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0121 0.0131 0.031
Trypanosoma cruzi hypothetical protein, conserved 0.2085 0.4228 1
Echinococcus granulosus abhydrolase domain containing protein 0.0071 0.0026 0.0061
Loa Loa (eye worm) lipase 0.2085 0.4228 1
Echinococcus multilocularis abhydrolase domain containing protein 3 0.0071 0.0026 0.0061
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.2085 0.4228 1
Mycobacterium tuberculosis Possible hydrolase 0.0121 0.0131 0.0107
Loa Loa (eye worm) abhydrolase domain-containing protein 2 0.0071 0.0026 0.0061
Trichomonas vaginalis lipase containing protein, putative 0.2085 0.4228 1
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0121 0.0131 1
Chlamydia trachomatis lysophospholipase esterase 0.0058 0 0.5
Echinococcus granulosus abhydrolase domain containing protein 11 0.0177 0.0247 0.0584
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0071 0.0026 0.0061
Brugia malayi hydrolase, alpha/beta fold family protein 0.0071 0.0026 0.0061
Leishmania major hypothetical protein, conserved 0.2085 0.4228 1
Trypanosoma cruzi hydrolase-like protein 0.0071 0.0026 0.0061
Plasmodium falciparum alpha/beta hydrolase, putative 0.0177 0.0247 1
Mycobacterium ulcerans hydrolase 0.0121 0.0131 0.0105
Trichomonas vaginalis lipase containing protein, putative 0.2085 0.4228 1
Mycobacterium leprae Probable exported protease 0.0071 0.0026 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0026 0.0061
Toxoplasma gondii homoserine O-acetyltransferase, putative 0.0071 0.0026 0.1977
Loa Loa (eye worm) ab-hydrolase associated lipase region family protein 0.0071 0.0026 0.0061
Entamoeba histolytica alpha/beta hydrolase domain protein, putative 0.0071 0.0026 0.5
Mycobacterium leprae POSSIBLE SECRETED PROTEASE 0.0071 0.0026 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0026 0.0061
Mycobacterium leprae POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE) 0.0071 0.0026 0.5
Giardia lamblia ENC6 protein 0.0071 0.0026 0.5
Trypanosoma cruzi hydrolase-like protein, putative 0.0071 0.0026 0.0061
Brugia malayi alpha/beta hydrolase 0.0071 0.0026 0.0061
Echinococcus granulosus lysosomal acid lipase:cholesteryl ester 0.0071 0.0026 0.0061
Brugia malayi Alpha/beta hydrolase 0.0071 0.0026 0.0061
Trypanosoma brucei hydrolase, alpha/beta fold family, putative 0.0071 0.0026 0.0061
Brugia malayi hydrolase, alpha/beta fold family protein 0.0121 0.0131 0.031
Trypanosoma cruzi hypothetical protein, conserved 0.2085 0.4228 1
Loa Loa (eye worm) hydrolase 0.0071 0.0026 0.0061
Toxoplasma gondii alpha/beta hydrolase, putative 0.0071 0.0026 0.1977
Leishmania major hydrolase-like protein,esterase-like protein 0.0071 0.0026 0.0061
Trypanosoma cruzi hydrolase-like protein, putative 0.0071 0.0026 0.0061
Leishmania major hypothetical protein, conserved 0.0071 0.0026 0.0061
Brugia malayi Hypothetical 54.7 kDa protein F37A4.1 in chromosome III 0.0071 0.0026 0.0061
Mycobacterium tuberculosis Probable oxidoreductase 0.0086 0.0058 0.0032
Brugia malayi Lipase family protein 0.2085 0.4228 1
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0026 0.0061
Loa Loa (eye worm) hypothetical protein 0.0177 0.0247 0.0584
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0121 0.0131 0.031
Echinococcus multilocularis abhydrolase domain containing protein 11 0.0177 0.0247 0.0584
Trypanosoma brucei lipase domain protein, putative 0.2085 0.4228 1
Echinococcus multilocularis abhydrolase domain containing 3 0.0071 0.0026 0.0061
Trypanosoma brucei hydrolase, alpha/beta fold family, putative 0.0071 0.0026 0.0061
Mycobacterium tuberculosis Conserved protein 0.0086 0.0058 0.0032
Mycobacterium tuberculosis 4,9-DHSA hydrolase 0.4781 0.9852 1
Schistosoma mansoni family S33 non-peptidase homologue (S33 family) 0.0177 0.0247 1
Echinococcus granulosus abhydrolase domain containing protein 3 0.0071 0.0026 0.0061

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.67 nM Displacement of [125I]iodoproxyfan from histamine H3 receptor (unknown origin) expressed in CHO cells ChEMBL. 23787288

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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