Detailed information for compound 1129499

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 441.264 | Formula: C22H14Cl2N2O4
  • H donors: 0 H acceptors: 0 LogP: 6.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C1ON=C(O1)c1ccc(cc1)C1=NOC(O1)c1cccc(c1)Cl
  • InChi: 1S/C22H14Cl2N2O4/c23-17-5-1-3-15(11-17)21-27-19(25-29-21)13-7-9-14(10-8-13)20-26-30-22(28-20)16-4-2-6-18(24)12-16/h1-12,21-22H
  • InChiKey: HZSYZNGBGKVKSW-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-25 0.00106647 0.13107 0.13107
Entamoeba histolytica hypothetical protein 0.00131762 0.196506 0.5
Brugia malayi steroid hormone receptor 0.00106647 0.13107 0.13107
Brugia malayi Nuclear hormone receptor family member nhr-40 0.00106647 0.13107 0.13107
Brugia malayi ecdysteroid receptor 0.00106647 0.13107 0.13107
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.00106647 0.13107 0.13107
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.00106647 0.13107 0.13107
Brugia malayi MHCK/EF2 kinase domain family protein 0.00440155 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.00106647 0.13107 0.13107
Brugia malayi Nuclear hormone receptor family member nhr-14 0.00106647 0.13107 0.13107
Trypanosoma brucei myosin heavy chain kinase A, putative 0.00440155 1 0.5
Onchocerca volvulus 0.00106647 0.13107 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.00106647 0.13107 0.5
Loa Loa (eye worm) hypothetical protein 0.00106647 0.13107 0.13107
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00106647 0.13107 0.13107
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.00106647 0.13107 0.13107
Entamoeba histolytica hypothetical protein 0.00131762 0.196506 0.5
Entamoeba histolytica hypothetical protein, conserved 0.00131762 0.196506 0.5
Loa Loa (eye worm) hypothetical protein 0.00106647 0.13107 0.13107
Loa Loa (eye worm) hypothetical protein 0.00106647 0.13107 0.13107
Schistosoma mansoni steroid hormone receptor ad4bp 0.00106647 0.13107 0.13107
Brugia malayi Nuclear hormone receptor family member nhr-49 0.00106647 0.13107 0.13107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.00106647 0.13107 0.13107
Entamoeba histolytica protein kinase, putative 0.00131762 0.196506 0.5
Entamoeba histolytica hypothetical protein, conserved 0.00131762 0.196506 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.00106647 0.13107 0.13107
Loa Loa (eye worm) hypothetical protein 0.00106647 0.13107 0.13107
Entamoeba histolytica hypothetical protein 0.00131762 0.196506 0.5
Brugia malayi nuclear receptor NHR-88 0.00106647 0.13107 0.13107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.00106647 0.13107 0.13107
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00106647 0.13107 0.13107
Brugia malayi Nuclear hormone receptor family member nhr-31 0.00106647 0.13107 0.13107
Onchocerca volvulus Bile acid receptor homolog 0.00106647 0.13107 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.00106647 0.13107 0.13107
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.00106647 0.13107 0.13107
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00106647 0.13107 0.13107
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.00106647 0.13107 0.13107
Schistosoma mansoni thyroid hormone receptor 0.00106647 0.13107 0.13107
Entamoeba histolytica hypothetical protein, conserved 0.00131762 0.196506 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.00106647 0.13107 0.13107
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.00106647 0.13107 0.5
Schistosoma mansoni nuclear hormone receptor 0.00106647 0.13107 0.13107
Schistosoma mansoni Tr4/Tr2 (homologue) 0.00106647 0.13107 0.13107
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00106647 0.13107 0.13107
Schistosoma mansoni elongation factor 2 kinase 0.00131762 0.196506 0.196506
Schistosoma mansoni thyroid hormone receptor 0.00106647 0.13107 0.13107
Entamoeba histolytica hypothetical protein 0.00131762 0.196506 0.5
Loa Loa (eye worm) hypothetical protein 0.00106647 0.13107 0.13107
Schistosoma mansoni elongation factor 2 kinase 0.00131762 0.196506 0.196506
Trypanosoma brucei myosin heavy chain kinase A, putative 0.00440155 1 0.5
Entamoeba histolytica elongation factor-2 kinase, putative 0.00131762 0.196506 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00106647 0.13107 0.13107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.00106647 0.13107 0.13107
Leishmania major myosin heavy chain kinase a-like protein 0.00440155 1 1
Loa Loa (eye worm) hypothetical protein 0.00440155 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.00106647 0.13107 0.13107
Schistosoma mansoni eukaryotic elongation factor 2 kinase (eef-2 kinase) 0.00440155 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.00106647 0.13107 0.13107
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00106647 0.13107 0.13107
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00106647 0.13107 0.13107
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00106647 0.13107 0.13107
Echinococcus granulosus retinoic acid receptor rxr beta a 0.00106647 0.13107 0.13107
Echinococcus multilocularis eukaryotic elongation factor 2 kinase 0.00440155 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.00106647 0.13107 0.13107
Schistosoma mansoni retinoid-x-receptor (RXR) 0.00106647 0.13107 0.13107
Entamoeba histolytica hypothetical protein 0.00131762 0.196506 0.5
Brugia malayi Steroid receptor seven-up type 2 0.00106647 0.13107 0.13107
Loa Loa (eye worm) hypothetical protein 0.00106647 0.13107 0.13107
Echinococcus granulosus eukaryotic elongation factor 2 kinase 0.00440155 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.00106647 0.13107 0.13107
Echinococcus multilocularis FTZ F1 alpha 0.00106647 0.13107 0.13107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.00106647 0.13107 0.13107
Schistosoma mansoni coup transcription factor 0.00106647 0.13107 0.13107
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.00106647 0.13107 0.13107
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00106647 0.13107 0.13107
Echinococcus multilocularis ecdysone induced protein 78C 0.00106647 0.13107 0.13107
Trypanosoma cruzi myosin heavy chain kinase A, putative 0.00440155 1 0.5
Entamoeba histolytica hypothetical protein 0.00131762 0.196506 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.00106647 0.13107 0.13107
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.00106647 0.13107 0.13107
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.00106647 0.13107 0.13107
Brugia malayi nuclear hormone receptor 0.00106647 0.13107 0.13107
Entamoeba histolytica hypothetical protein 0.00131762 0.196506 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.00106647 0.13107 0.13107
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.00106647 0.13107 0.13107
Loa Loa (eye worm) steroid hormone receptor 0.00106647 0.13107 0.13107
Echinococcus multilocularis thyroid hormone receptor alpha 0.00106647 0.13107 0.13107
Echinococcus granulosus FTZ F1 alpha 0.00106647 0.13107 0.13107
Loa Loa (eye worm) hypothetical protein 0.00106647 0.13107 0.13107
Brugia malayi Nuclear hormone receptor family member nhr-3 0.00106647 0.13107 0.13107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.00106647 0.13107 0.13107
Loa Loa (eye worm) hypothetical protein 0.00106647 0.13107 0.13107
Entamoeba histolytica protein kinase, putative 0.00131762 0.196506 0.5
Entamoeba histolytica hypothetical protein 0.00131762 0.196506 0.5
Trypanosoma cruzi myosin heavy chain kinase A, putative 0.00440155 1 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.00106647 0.13107 0.13107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.00106647 0.13107 0.13107

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.41 uM Antiamnesic activity against Entamoeba histolytica HM1:IMSS trophozoites after 72 hrs by microdilution method ChEMBL. 19589625

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Entamoeba histolytica ChEMBL23 19589625

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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