Detailed information for compound 155568

Basic information

Technical information
  • TDR Targets ID: 155568
  • Name: 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridi n-4-ylpiperidin-4-yl)methyl]benzamide
  • MW: 484.417 | Formula: C26H27Cl2N3O2
  • H donors: 1 H acceptors: 2 LogP: 5.88 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)CCOc1cccc(c1)C(=O)NCC1CCN(CC1)c1ccncc1
  • InChi: 1S/C26H27Cl2N3O2/c27-22-5-4-20(25(28)17-22)10-15-33-24-3-1-2-21(16-24)26(32)30-18-19-8-13-31(14-9-19)23-6-11-29-12-7-23/h1-7,11-12,16-17,19H,8-10,13-15,18H2,(H,30,32)
  • InChiKey: AQDTWVBZQDZQEZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[[1-(4-pyridyl)-4-piperidyl]methyl]benzamide
  • 3-[2-(2,4-dichlorophenyl)ethoxy]-N-[[1-(4-pyridyl)-4-piperidinyl]methyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor X 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
Plasmodium falciparum ataxin-2 like protein, putative 0.0114 0.066 0.5
Loa Loa (eye worm) hypothetical protein 0.0318 0.2797 0.2288
Entamoeba histolytica serine/threonine protein kinase, putative 0.0943 0.9349 0.5
Brugia malayi Latrophilin receptor protein 2 0.0318 0.2797 0.2623
Schistosoma mansoni tar DNA-binding protein 0.0765 0.7485 0.8006
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0943 0.9349 0.9303
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0318 0.2797 0.2992
Echinococcus granulosus tar DNA binding protein 0.0765 0.7485 0.8006
Loa Loa (eye worm) TAR-binding protein 0.0765 0.7485 0.7308
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1005 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0943 0.9349 1
Echinococcus multilocularis tar DNA binding protein 0.0765 0.7485 0.8006
Loa Loa (eye worm) RNA binding protein 0.0765 0.7485 0.7308
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0943 0.9349 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0765 0.7485 0.7308
Loa Loa (eye worm) hypothetical protein 0.0187 0.1428 0.0822
Brugia malayi hypothetical protein 0.0114 0.066 0.0435
Schistosoma mansoni hypothetical protein 0.0318 0.2797 0.2992
Trypanosoma cruzi polo-like protein kinase, putative 0.0943 0.9349 1
Schistosoma mansoni hypothetical protein 0.0318 0.2797 0.2992
Trichomonas vaginalis CAMK family protein kinase 0.0943 0.9349 1
Schistosoma mansoni serine/threonine protein kinase 0.0943 0.9349 1
Echinococcus granulosus GPCR family 2 0.0318 0.2797 0.2992
Schistosoma mansoni hypothetical protein 0.0318 0.2797 0.2992
Brugia malayi TAR-binding protein 0.0765 0.7485 0.7425
Brugia malayi RNA binding protein 0.0765 0.7485 0.7425
Schistosoma mansoni tar DNA-binding protein 0.0765 0.7485 0.8006
Trichomonas vaginalis CAMK family protein kinase 0.0943 0.9349 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0318 0.2797 0.2992
Schistosoma mansoni hypothetical protein 0.0318 0.2797 0.2992
Trichomonas vaginalis CAMK family protein kinase 0.0943 0.9349 1
Schistosoma mansoni tar DNA-binding protein 0.0765 0.7485 0.8006
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0318 0.2797 0.2623
Plasmodium vivax ataxin-2 like protein, putative 0.0114 0.066 0.5
Schistosoma mansoni tar DNA-binding protein 0.0765 0.7485 0.8006
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0943 0.9349 1
Trichomonas vaginalis CAMK family protein kinase 0.0943 0.9349 1
Trichomonas vaginalis CAMK family protein kinase 0.0943 0.9349 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0318 0.2797 0.2992
Loa Loa (eye worm) hypothetical protein 0.0687 0.6666 0.643
Brugia malayi latrophilin 2 splice variant baaae 0.0687 0.6666 0.6585
Brugia malayi serine/threonine-protein kinase plk-2 0.0943 0.9349 0.9334
Trypanosoma cruzi polo-like protein kinase, putative 0.0943 0.9349 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0318 0.2797 0.2288
Trichomonas vaginalis CAMK family protein kinase 0.0943 0.9349 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0114 0.066 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0318 0.2797 0.2992
Echinococcus multilocularis GPCR, family 2 0.0318 0.2797 0.2992
Schistosoma mansoni kinase 0.0479 0.4488 0.48
Giardia lamblia Kinase, PLK 0.0943 0.9349 0.5
Loa Loa (eye worm) hypothetical protein 0.1005 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0943 0.9349 1
Trypanosoma brucei polo-like protein kinase 0.0943 0.9349 1
Toxoplasma gondii LsmAD domain-containing protein 0.0114 0.066 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0943 0.9349 1
Schistosoma mansoni tar DNA-binding protein 0.0765 0.7485 0.8006
Brugia malayi N-terminal motif family protein 0.0187 0.1428 0.1221
Brugia malayi RNA recognition motif domain containing protein 0.0765 0.7485 0.7425
Brugia malayi Calcitonin receptor-like protein seb-1 0.1005 1 1
Schistosoma mansoni hypothetical protein 0.0687 0.6666 0.713

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 106 nM Inhibitory activity against human Coagulation factor X ChEMBL. 15125936
Ki (binding) = 106 nM Inhibitory activity against human Coagulation factor X ChEMBL. 15125936
Ki (binding) = 0.106 uM Binding affinity towards human Coagulation factor X ChEMBL. 15857135
Ki (binding) = 0.106 uM Binding affinity towards human Coagulation factor X ChEMBL. 15857135

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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