Detailed information for compound 336621

Basic information

Technical information
  • TDR Targets ID: 336621
  • Name: 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N- [(1-piperidin-4-ylpiperidin-4-yl)methyl]benza mide
  • MW: 520.491 | Formula: C27H35Cl2N3O3
  • H donors: 2 H acceptors: 1 LogP: 5.26 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1OCCc1ccc(cc1Cl)Cl)C(=O)NCC1CCN(CC1)C1CCNCC1
  • InChi: 1S/C27H35Cl2N3O3/c1-34-25-5-3-21(16-26(25)35-15-10-20-2-4-22(28)17-24(20)29)27(33)31-18-19-8-13-32(14-9-19)23-6-11-30-12-7-23/h2-5,16-17,19,23,30H,6-15,18H2,1H3,(H,31,33)
  • InChiKey: WVPKJUIQXLMIID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(4-piperidyl)-4-piperidyl]methyl]benzamide
  • 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(4-piperidinyl)-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
Trichomonas vaginalis conserved hypothetical protein 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB7 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB10 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB6 0.0024 0 0.5
Plasmodium falciparum subtilisin-like protease 3 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB1 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0791 1 1
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0024 0 0.5
Plasmodium vivax subtilisin-like protease 2, putative 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Mycobacterium leprae Possible secreted protease 0.0024 0 0.5
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0024 0 0.5
Plasmodium vivax subtilisin-like protease 1 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0024 0 0.5
Trypanosoma cruzi subtilisin peptidase 0.0024 0 0.5
Plasmodium vivax subtilisin-like serine protease, putative 0.0024 0 0.5
Onchocerca volvulus 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB8 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB5 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0024 0 0.5
Leishmania major subtilisin-like serine peptidase 0.0024 0 0.5
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB2 0.0024 0 0.5
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0024 0 0.5
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB12 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trypanosoma brucei subtilisin peptidase 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB9 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB4 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0024 0 0.5
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0296 0.3545 1
Plasmodium falciparum subtilisin-like protease 2 0.0024 0 0.5
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0024 0 0.5
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Loa Loa (eye worm) subtilase 0.0791 1 1
Plasmodium falciparum subtilisin-like protease 1 0.0024 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0296 0.3545 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0024 0 0.5
Toxoplasma gondii subtilisin SUB11 0.0024 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5.755 uM Binding affinity towards human Coagulation factor X ChEMBL. 15857135
Ki (binding) = 5.755 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

1 literature reference was collected for this gene.

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