Detailed information for compound 44021

Basic information

Technical information
  • TDR Targets ID: 44021
  • Name: N-[1-(cyclohexylmethyl)piperidin-4-yl]-9H-xan thene-9-carboxamide
  • MW: 404.544 | Formula: C26H32N2O2
  • H donors: 1 H acceptors: 1 LogP: 5.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1c2ccccc2Oc2c1cccc2)NC1CCN(CC1)CC1CCCCC1
  • InChi: 1S/C26H32N2O2/c29-26(27-20-14-16-28(17-15-20)18-19-8-2-1-3-9-19)25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h4-7,10-13,19-20,25H,1-3,8-9,14-18H2,(H,27,29)
  • InChiKey: QDBACOKTSIEAAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(cyclohexylmethyl)-4-piperidyl]-9H-xanthene-9-carboxamide
  • N-[1-(cyclohexylmethyl)-4-piperidinyl]-9H-xanthene-9-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus chemokine (C-C motif) receptor 1 Starlite/ChEMBL References
Homo sapiens chemokine (C-C motif) receptor 1 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyroglutamylated rfamide peptide receptor chemokine (C-C motif) receptor 1 355 aa 363 aa 20.9 %
Brugia malayi hypothetical protein chemokine (C-C motif) receptor 1 355 aa 289 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica aminopeptidase, putative 0.0185 0 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0185 0 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0185 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0351 0.4723 0.6358
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0185 0 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0185 0 0.5
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0427 0.6861 0.9236
Echinococcus multilocularis aminopeptidase N 0.0537 1 1
Brugia malayi hypothetical protein 0.0336 0.4289 0.4289
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0185 0 0.5
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0427 0.6861 1
Echinococcus granulosus aminopeptidase N 0.0537 1 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0185 0 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0185 0 0.5
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0185 0 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0185 0 0.5
Onchocerca volvulus 0.0537 1 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0427 0.6861 0.6861
Loa Loa (eye worm) peptidase family M1 containing protein 0.0442 0.7295 0.9821
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0427 0.6861 0.6861
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0185 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0447 0.7428 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0185 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 200 nM Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors. ChEMBL. 11311066
IC50 (binding) = 200 nM Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors. ChEMBL. 11311066
IC50 (binding) > 10000 nM Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors. ChEMBL. 11311066
IC50 (binding) > 10000 nM Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors. ChEMBL. 11311066

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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