Detailed information for compound 1568649

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 475.288 | Formula: C24H13BrF2N4
  • H donors: 2 H acceptors: 2 LogP: 5.68 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c(c1)c(c[nH]2)c1nc2ccccc2nc1c1c[nH]c2c1cc(F)c(c2)F
  • InChi: 1S/C24H13BrF2N4/c25-12-5-6-19-13(7-12)15(10-28-19)23-24(31-21-4-2-1-3-20(21)30-23)16-11-29-22-9-18(27)17(26)8-14(16)22/h1-11,28-29H
  • InChiKey: WGDQNYIYRBSELC-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0057 0.0441
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1286 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0057 0.0441
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0423 0.3289
Trichomonas vaginalis conserved hypothetical protein 0.0255 0.3004 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0057 0.0441
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0003
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0057 0.0441
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0423 0.3289
Loa Loa (eye worm) hypothetical protein 0.002 0.0057 0.0441
Loa Loa (eye worm) hypothetical protein 0.0049 0.0423 0.3289
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0057 0.0441
Loa Loa (eye worm) hypothetical protein 0.002 0.0057 0.0441
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0057 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0057 0.0441
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0057 0.0441
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0057 0.0068
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0003
Echinococcus multilocularis microtubule associated protein 2 0.0682 0.8368 0.8368
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0057 0.0068
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0057 0.0057
Plasmodium vivax LCCL domain-containing protein 0.0255 0.3004 1
Echinococcus granulosus FTZ F1 alpha 0.002 0.0057 0.0068
Brugia malayi isocitrate dehydrogenase 0.0016 0.0003 0.0023
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0057 0.0057
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0057 0.0068
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0057 0.0068
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0057 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0057 0.0441
Brugia malayi steroid hormone receptor 0.002 0.0057 0.0441
Plasmodium falciparum LCCL domain-containing protein 0.0255 0.3004 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0003 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0255 0.3004 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0057 0.0068
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0227 0.1767
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0057 0.0441
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0057 0.0057
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0057 0.0441
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0003 0.0023
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0057 0.0068
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0057 0.0068
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0057 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0255 0.3004 0.5
Schistosoma mansoni nuclear hormone receptor 0.002 0.0057 0.0068
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0003 0.5
Schistosoma mansoni thyroid hormone receptor 0.002 0.0057 0.0068
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0057 0.0068
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0057 0.0441
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0057 0.0441
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0057 0.0441
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0057 0.0068
Brugia malayi nuclear hormone receptor 0.002 0.0057 0.0441
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0057 0.0057
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0003 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0057 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0057 0.0441
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0057 0.0068
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0057 0.0068
Toxoplasma gondii PA14 domain-containing protein 0.0255 0.3004 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0057 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0057 0.0441
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0057 0.0441
Loa Loa (eye worm) hypothetical protein 0.002 0.0057 0.0441
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0003
Echinococcus granulosus microtubule associated protein 2 0.0682 0.8368 1
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0034 0.0227 0.1767
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0057 0.0068
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0057 0.0057
Schistosoma mansoni coup transcription factor 0.002 0.0057 0.0068
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0057 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0057 0.0441
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0057 0.0441
Brugia malayi ecdysteroid receptor 0.002 0.0057 0.0441
Toxoplasma gondii PA14 domain-containing protein 0.0255 0.3004 1
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0057 0.0057
Plasmodium vivax LCCL domain-containing protein 0.0255 0.3004 1
Schistosoma mansoni microtubule-associated protein tau 0.0682 0.8368 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0057 0.0441
Trichomonas vaginalis conserved hypothetical protein 0.0255 0.3004 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0003 0.0003
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0003 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0057 0.0441
Trichomonas vaginalis Antigenic protein P1, putative 0.0255 0.3004 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0255 0.3004 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0057 0.0441
Schistosoma mansoni thyroid hormone receptor 0.002 0.0057 0.0068
Schistosoma mansoni hypothetical protein 0.0034 0.0227 0.0271
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0003 0.5
Plasmodium vivax LCCL domain-containing protein 0.0255 0.3004 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0057 0.0441
Brugia malayi MH2 domain containing protein 0.0118 0.1286 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0003 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0057 0.0441
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0057 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0057 0.0441
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0003 0.0023
Onchocerca volvulus 0.002 0.0057 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0057 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0057 0.0441
Loa Loa (eye worm) hypothetical protein 0.002 0.0057 0.0441
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0057 0.0068
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0057 0.0068
Brugia malayi nuclear receptor NHR-88 0.002 0.0057 0.0441
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0423 0.3289
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0057 0.0441
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0057 0.0441
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0003 0.0003
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1286 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0057 0.0441
Toxoplasma gondii PA14 domain-containing protein 0.0255 0.3004 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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