Detailed information for compound 441044

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.307 | Formula: C23H18Cl2N2O2
  • H donors: 2 H acceptors: 3 LogP: 5.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(=O)[nH]c(cc1c1cc(Cl)ccc1Cl)c1cc(ccc1O)C1CCCC1
  • InChi: 1S/C23H18Cl2N2O2/c24-15-6-7-20(25)17(10-15)16-11-21(27-23(29)19(16)12-26)18-9-14(5-8-22(18)28)13-3-1-2-4-13/h5-11,13,28H,1-4H2,(H,27,29)
  • InChiKey: LDKWIJMNHXVJGA-UHFFFAOYSA-N  

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 baculoviral IAP repeat containing 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis baculoviral IAP repeat containing protein Get druggable targets OG5_132424 All targets in OG5_132424
Brugia malayi Inhibitor of Apoptosis domain containing protein Get druggable targets OG5_132424 All targets in OG5_132424
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132424 All targets in OG5_132424
Onchocerca volvulus Deterin homolog Get druggable targets OG5_132424 All targets in OG5_132424
Echinococcus granulosus baculoviral IAP repeat containing protein Get druggable targets OG5_132424 All targets in OG5_132424

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
Loa Loa (eye worm) hypothetical protein 0.0116 0.0707 0.0707
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0116 0.0707 0.0707
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0116 0.0707 0.0707
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0116 0.0707 0.0707
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0116 0.0707 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0707 0.0707
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0116 0.0707 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0116 0.0707 0.0707
Schistosoma mansoni nuclear hormone receptor 0.0116 0.0707 1
Brugia malayi ecdysteroid receptor 0.0116 0.0707 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0116 0.0707 0.0707
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0116 0.0707 0.0707
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0116 0.0707 0.0707
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0357 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0116 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0116 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0116 0.0707 0.0707
Echinococcus multilocularis FTZ F1 alpha 0.0116 0.0707 0.0707
Brugia malayi steroid hormone receptor 0.0116 0.0707 0.0707
Echinococcus granulosus FTZ F1 alpha 0.0116 0.0707 0.0707
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0116 0.0707 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0116 0.0707 0.0707
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0116 0.0707 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0116 0.0707 0.0707
Echinococcus granulosus ecdysone induced protein 78C 0.0116 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0116 0.0707 0.0707
Onchocerca volvulus Protein ultraspiracle homolog 0.0116 0.0707 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0116 0.0707 0.0707
Schistosoma mansoni thyroid hormone receptor 0.0116 0.0707 1
Schistosoma mansoni retinoic acid receptor RXR 0.0116 0.0707 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0116 0.0707 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0116 0.0707 0.0707
Brugia malayi Nuclear hormone receptor-like 1 0.0116 0.0707 0.0707
Schistosoma mansoni thyroid hormone receptor 0.0116 0.0707 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0116 0.0707 0.0707
Loa Loa (eye worm) steroid hormone receptor 0.0116 0.0707 0.0707
Echinococcus multilocularis ecdysone induced protein 78C 0.0116 0.0707 0.0707
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0116 0.0707 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0116 0.0707 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0116 0.0707 0.0707
Onchocerca volvulus 0.0116 0.0707 0.0707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0116 0.0707 0.0707
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0116 0.0707 0.0707
Brugia malayi photoreceptor-specific nuclear receptor 0.0116 0.0707 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0116 0.0707 0.0707
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0116 0.0707 0.0707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0116 0.0707 0.0707
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0116 0.0707 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0116 0.0707 0.0707
Schistosoma mansoni steroid hormone receptor ad4bp 0.0116 0.0707 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0116 0.0707 0.0707
Brugia malayi nuclear receptor NHR-88 0.0116 0.0707 0.0707
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0116 0.0707 0.0707
Schistosoma mansoni RAR-like nuclear receptor 0.0116 0.0707 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0116 0.0707 0.0707
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0116 0.0707 0.0707
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0357 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0707 0.0707
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0116 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0116 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0116 0.0707 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0116 0.0707 0.0707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0116 0.0707 0.0707
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0116 0.0707 1
Brugia malayi nuclear hormone receptor 0.0116 0.0707 0.0707
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0116 0.0707 0.0707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0116 0.0707 0.0707
Echinococcus multilocularis thyroid hormone receptor alpha 0.0116 0.0707 0.0707
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0116 0.0707 0.0707
Loa Loa (eye worm) hypothetical protein 0.0357 1 1
Schistosoma mansoni coup transcription factor 0.0116 0.0707 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0116 0.0707 0.0707
Onchocerca volvulus Bile acid receptor homolog 0.0116 0.0707 0.0707
Onchocerca volvulus Deterin homolog 0.0357 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0116 0.0707 1

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 0.51 uM Binding affinity to human survivin expressed in Escherichia coli BL21 cells after 30 mins ChEMBL. 17391963
Kd (binding) = 0.51 uM Binding affinity to human survivin expressed in Escherichia coli BL21 cells after 30 mins ChEMBL. 17391963

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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