Detailed information for compound 1614237

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 522.386 | Formula: C25H21Cl2N7O2
  • H donors: 0 H acceptors: 6 LogP: 5.35 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc2c(c1)nc(cc2)CN(Cc1ccc2c(n1)cc(cc2)Cl)CCCn1cnc(n1)[N+](=O)[O-]
  • InChi: 1S/C25H21Cl2N7O2/c26-19-6-2-17-4-8-21(29-23(17)12-19)14-32(10-1-11-33-16-28-25(31-33)34(35)36)15-22-9-5-18-3-7-20(27)13-24(18)30-22/h2-9,12-13,16H,1,10-11,14-15H2
  • InChiKey: PEWAKULERJDGAP-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi nuclear receptor NHR-88 0.0264 0.2529 0.2529
Schistosoma mansoni thyroid hormone receptor 0.0264 0.2529 0.2529
Loa Loa (eye worm) hypothetical protein 0.0264 0.2529 0.2529
Loa Loa (eye worm) hypothetical protein 0.0264 0.2529 0.2529
Onchocerca volvulus Protein ultraspiracle homolog 0.0264 0.2529 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0264 0.2529 1
Brugia malayi ecdysteroid receptor 0.0264 0.2529 0.2529
Brugia malayi Steroid receptor seven-up type 2 0.0264 0.2529 0.2529
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0264 0.2529 0.2529
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0264 0.2529 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.014 0.0249 0.0249
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0264 0.2529 0.2529
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0264 0.2529 0.2529
Brugia malayi Nuclear hormone receptor-like 1 0.014 0.0249 0.0249
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0264 0.2529 0.2529
Loa Loa (eye worm) hypothetical protein 0.014 0.0249 0.0249
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0264 0.2529 0.2529
Brugia malayi photoreceptor-specific nuclear receptor 0.0264 0.2529 0.2529
Loa Loa (eye worm) hypothetical protein 0.0264 0.2529 0.2529
Loa Loa (eye worm) hypothetical protein 0.059 0.8486 0.8486
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0264 0.2529 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0264 0.2529 0.2529
Loa Loa (eye worm) hypothetical protein 0.014 0.0249 0.0249
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.014 0.0249 0.0986
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0264 0.2529 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0264 0.2529 0.2529
Loa Loa (eye worm) steroid hormone receptor 0.0264 0.2529 0.2529
Schistosoma mansoni thyroid hormone receptor 0.0264 0.2529 0.2529
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0264 0.2529 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0264 0.2529 0.2529
Echinococcus granulosus ecdysone induced protein 78C 0.0264 0.2529 1
Loa Loa (eye worm) hypothetical protein 0.014 0.0249 0.0249
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0264 0.2529 0.2529
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0264 0.2529 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0264 0.2529 0.2529
Loa Loa (eye worm) hypothetical protein 0.0264 0.2529 0.2529
Brugia malayi nuclear receptor RXR 0.014 0.0249 0.0249
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0264 0.2529 0.2529
Brugia malayi Nuclear hormone receptor-like 1 0.014 0.0249 0.0249
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0264 0.2529 0.2529
Schistosoma mansoni coup transcription factor 0.0264 0.2529 0.2529
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0264 0.2529 0.2529
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0264 0.2529 0.2529
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0264 0.2529 1
Schistosoma mansoni RAR-like nuclear receptor 0.0264 0.2529 0.2529
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0264 0.2529 0.2529
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0264 0.2529 0.2529
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0264 0.2529 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0264 0.2529 0.2529
Echinococcus multilocularis thyroid hormone receptor alpha 0.0264 0.2529 1
Echinococcus multilocularis FTZ F1 alpha 0.0264 0.2529 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0264 0.2529 0.2529
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0264 0.2529 0.2529
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0264 0.2529 0.2529
Schistosoma mansoni retinoic acid receptor RXR 0.0264 0.2529 0.2529
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0264 0.2529 0.2529
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0264 0.2529 0.2529
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.014 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0264 0.2529 0.2529
Onchocerca volvulus 0.0264 0.2529 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0264 0.2529 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.014 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0264 0.2529 0.2529
Brugia malayi hypothetical protein 0.014 0.0249 0.0249
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0264 0.2529 0.2529
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0264 0.2529 1
Loa Loa (eye worm) hypothetical protein 0.014 0.0249 0.0249
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0264 0.2529 1
Schistosoma mansoni nuclear hormone receptor 0.0264 0.2529 0.2529
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0264 0.2529 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.2529 0.2529
Loa Loa (eye worm) hypothetical protein 0.0264 0.2529 0.2529
Echinococcus granulosus FTZ F1 alpha 0.0264 0.2529 1
Brugia malayi Nuclear hormone receptor-like 1 0.0264 0.2529 0.2529
Brugia malayi nuclear hormone receptor 0.0264 0.2529 0.2529
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0264 0.2529 0.2529
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.014 0.0249 0.0986
Brugia malayi steroid hormone receptor 0.0264 0.2529 0.2529
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0264 0.2529 0.2529
Loa Loa (eye worm) hypothetical protein 0.014 0.0249 0.0249
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0473 0.6346 0.6346
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0264 0.2529 1
Brugia malayi hypothetical protein 0.014 0.0249 0.0249
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0264 0.2529 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0264 0.2529 0.2529
Onchocerca volvulus Bile acid receptor homolog 0.0264 0.2529 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0264 0.2529 0.2529
Echinococcus multilocularis ecdysone induced protein 78C 0.0264 0.2529 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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