Detailed information for compound 1522257

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.361 | Formula: C22H27Cl2NO3
  • H donors: 1 H acceptors: 2 LogP: 5.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1CCN1CCC(CC1)(O)C(C(=O)Oc1ccccc1)C.Cl
  • InChi: 1S/C22H26ClNO3.ClH/c1-17(21(25)27-19-8-3-2-4-9-19)22(26)12-15-24(16-13-22)14-11-18-7-5-6-10-20(18)23;/h2-10,17,26H,11-16H2,1H3;1H
  • InChiKey: NKNAEQVXHOHLSL-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 hormone receptor family member nhr-41 0.0015 0.1236 0.0233
Brugia malayi Intermediate filament tail domain containing protein 0.0028 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0015 0.1236 0.1236
Echinococcus multilocularis lamin dm0 0.0028 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0015 0.1236 0.1236
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0015 0.1236 0.1236
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.1236 0.0233
Schistosoma mansoni lamin 0.0028 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0015 0.1236 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0015 0.1236 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.1236 0.0233
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.1236 0.1236
Schistosoma mansoni lamin 0.0028 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0015 0.1236 0.1236
Brugia malayi steroid hormone receptor 0.0015 0.1236 0.0233
Brugia malayi ecdysteroid receptor 0.0015 0.1236 0.0233
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.1236 0.0233
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0015 0.1236 0.1236
Loa Loa (eye worm) hypothetical protein 0.0015 0.1236 0.1236
Echinococcus multilocularis ecdysone induced protein 78C 0.0015 0.1236 0.1236
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0015 0.1236 0.1236
Echinococcus granulosus intermediate filament protein 0.0028 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.1236 0.1236
Loa Loa (eye worm) hypothetical protein 0.0028 0.9646 0.9646
Loa Loa (eye worm) steroid hormone receptor 0.0015 0.1236 0.1236
Echinococcus granulosus ecdysone induced protein 78C 0.0015 0.1236 0.1236
Brugia malayi nuclear hormone receptor 0.0015 0.1236 0.0233
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0015 0.1236 0.1236
Echinococcus multilocularis lamin 0.0028 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0015 0.1236 0.0233
Loa Loa (eye worm) intermediate filament protein 0.0028 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.1236 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0015 0.1236 0.0233
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.1236 0.1236
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0015 0.1236 0.1236
Loa Loa (eye worm) hypothetical protein 0.0015 0.1236 0.1236
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.1236 0.1236
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0015 0.1236 0.1236
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0015 0.1236 0.1236
Loa Loa (eye worm) hypothetical protein 0.0015 0.1236 0.1236
Onchocerca volvulus 0.0028 1 1
Onchocerca volvulus 0.0028 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.1236 0.1236
Echinococcus multilocularis thyroid hormone receptor alpha 0.0015 0.1236 0.1236
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.1026 0.1026
Echinococcus multilocularis musashi 0.0028 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0015 0.1236 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0015 0.1236 0.0233
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0015 0.1236 0.1236
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0015 0.1236 0.0233
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0015 0.1236 0.1236
Echinococcus granulosus lamin dm0 0.0028 1 1
Echinococcus granulosus FTZ F1 alpha 0.0015 0.1236 0.1236
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0015 0.1236 0.1236
Loa Loa (eye worm) hypothetical protein 0.0028 1 1
Schistosoma mansoni intermediate filament proteins 0.0028 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0015 0.1236 0.1236
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0015 0.1236 0.1236
Loa Loa (eye worm) hypothetical protein 0.0015 0.1236 0.1236
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.1236 0.1236
Echinococcus granulosus lamin 0.0028 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0015 0.1236 0.1236
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.1236 0.0233
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.1236 0.0233
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0015 0.1236 0.1236
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.1236 0.0233
Brugia malayi nuclear receptor NHR-88 0.0015 0.1236 0.0233
Loa Loa (eye worm) hypothetical protein 0.0015 0.1236 0.1236
Brugia malayi Steroid receptor seven-up type 2 0.0015 0.1236 0.0233
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.1236 0.1236

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) mg kg-1 Analgesic activity after peroral administration using PQW test; ND is No Data ChEMBL. 6600791
ED50 (functional) mg kg-1 Analgesic activity for subcutaneous administration using tail flick test; ND is no data ChEMBL. 6600791
ED50 (functional) mg kg-1 Analgesic activity after peroral administration using tail flick test; ND is no data ChEMBL. 6600791

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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