Detailed information for compound 2204138

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 452.178 | Formula: C25H26ClFN4O
  • H donors: 2 H acceptors: 1 LogP: 4.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 0
  • SMILES: CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(c(c1Cl)C)F)c1ccccc1
  • InChi: InChI=1S/C25H26ClFN4O/c1-16-23(26)19(15-20(28)24(16)27)25(32)29-21-14-18(17-6-4-3-5-7-17)8-9-22(21)31-12-10-30(2)11-13-31/h3-9,14-15H,10-13,28H2,1-2H3,(H,29,32)
  • InChiKey: DTVSOQNFDJEARZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens WD repeat domain 5 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum WD repeat-containing protein 5, putative Get druggable targets OG5_128632 All targets in OG5_128632
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128632 All targets in OG5_128632
Echinococcus granulosus protein will die slowly Get druggable targets OG5_128632 All targets in OG5_128632
Trichomonas vaginalis WD repeat domain, putative Get druggable targets OG5_128632 All targets in OG5_128632
Brugia malayi Will die slowly protein Get druggable targets OG5_128632 All targets in OG5_128632
Candida albicans WD40 repeat protein similar to S. cerevisiae SWD3 (YBR175W) COMPASS histone methyltransferase complex component Get druggable targets OG5_128632 All targets in OG5_128632
Loa Loa (eye worm) WD40 repeat protein Get druggable targets OG5_128632 All targets in OG5_128632
Candida albicans WD40 repeat protein similar to S. cerevisiae SWD3 (YBR175W) COMPASS histone methyltransferase complex component Get druggable targets OG5_128632 All targets in OG5_128632
Echinococcus multilocularis protein will die slowly Get druggable targets OG5_128632 All targets in OG5_128632
Onchocerca volvulus Get druggable targets OG5_128632 All targets in OG5_128632
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum U4/U6 small nuclear ribonucleoprotein PRP4, putative WD repeat domain 5 334 aa 334 aa 21.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0081 0.8549 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0087 1 1
Echinococcus granulosus protein will die slowly 0.0081 0.8549 0.8549
Schistosoma mansoni hypothetical protein 0.0081 0.8549 0.8549
Schistosoma mansoni retinoblastoma binding protein 0.0087 1 1
Trichomonas vaginalis retinoblastoma binding protein, putative 0.0087 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 1 1
Brugia malayi Will die slowly protein 0.0081 0.8549 0.8549
Echinococcus multilocularis wd40 repeat 0.0087 1 1
Trichomonas vaginalis WD repeat domain, putative 0.0081 0.8549 0.8549
Echinococcus granulosus wd40 repeat 0.0087 1 1
Plasmodium falciparum SPRY domain, putative 0.005 0 0.5
Loa Loa (eye worm) WD40 repeat protein 0.0081 0.8549 0.8549
Plasmodium vivax hypothetical protein, conserved 0.005 0 0.5
Echinococcus multilocularis protein will die slowly 0.0081 0.8549 0.8549

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 47.9 nM Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay LITERATURE. 27598236

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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