Detailed information for compound 1524154

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 413.401 | Formula: C24H16FN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)nc(c(n2)c1ccco1)c1ccco1)NCc1ccccc1F
  • InChi: 1S/C24H16FN3O3/c25-17-6-2-1-5-16(17)14-26-24(29)15-9-10-18-19(13-15)28-23(21-8-4-12-31-21)22(27-18)20-7-3-11-30-20/h1-13H,14H2,(H,26,29)
  • InChiKey: HOEIOUPOJJDFMI-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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0274 0.3742
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0274 0.2567
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0274 0.0274
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.003 0.0274 0.2567
Brugia malayi Metabotropic glutamate receptor precursor. 0.0044 0.0733 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0274 0.3742
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0274 0.0274
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0274 0.2567
Echinococcus granulosus FTZ F1 alpha 0.003 0.0274 0.0274
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0274 0.3742
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.004 0.0597 0.8137
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0274 0.3742
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0274 0.0807
Schistosoma mansoni coup transcription factor 0.003 0.0274 0.0807
Trichomonas vaginalis ap endonuclease, putative 0.0022 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0274 0.0274
Echinococcus multilocularis tumor protein p63 0.0327 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0274 0.3742
Loa Loa (eye worm) hypothetical protein 0.0055 0.1069 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0274 0.2567
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0274 0.2567
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0274 0.0274
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0274 0.0274
Schistosoma mansoni thyroid hormone receptor 0.003 0.0274 0.0807
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0422 0.124
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.005 0.0932 0.2741
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0274 0.0274
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0274 0.3742
Brugia malayi nuclear receptor NHR-88 0.003 0.0274 0.3742
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0274 0.3742
Schistosoma mansoni metabotropic glutamate receptor 0.0037 0.0497 0.1462
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0422 0.0422
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0274 0.3742
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0422 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0274 0.0807
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0274 0.3742
Entamoeba histolytica hypothetical protein 0.0035 0.0422 1
Schistosoma mansoni thyroid hormone receptor 0.003 0.0274 0.0807
Toxoplasma gondii exonuclease III APE 0.0022 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.003 0.0274 0.2567
Echinococcus granulosus metabotropic glutamate receptor 2 0.0037 0.0497 0.0497
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0274 0.2567
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0849 0.2497
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0274 0.0274
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0274 0.0807
Loa Loa (eye worm) hypothetical protein 0.003 0.0274 0.2567
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0274 0.3742
Schistosoma mansoni hypothetical protein 0.0035 0.0422 0.124
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0126 0.3402 0.3402
Brugia malayi hypothetical protein 0.0035 0.0422 0.5753
Onchocerca volvulus 0.0048 0.0849 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0422 0.0422
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0274 0.0274
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0274 0.3742
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0274 0.3742
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0274 0.3742
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0274 0.0807
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0274 0.0274
Brugia malayi steroid hormone receptor 0.003 0.0274 0.3742
Loa Loa (eye worm) hypothetical protein 0.003 0.0274 0.2567
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0274 0.0807
Echinococcus granulosus metabotropic glutamate receptor 5 0.0055 0.1069 0.1069
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0274 0.3742
Entamoeba histolytica hypothetical protein 0.0035 0.0422 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0274 0.0274
Brugia malayi ecdysteroid receptor 0.003 0.0274 0.3742
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0274 0.2567
Loa Loa (eye worm) hypothetical protein 0.0048 0.0849 0.7947
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0274 0.0807
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0274 0.0274
Brugia malayi nuclear hormone receptor 0.003 0.0274 0.3742
Entamoeba histolytica hypothetical protein 0.0035 0.0422 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.011 0.2877 0.2877
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0274 0.0274
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0037 0.0497 0.0497
Loa Loa (eye worm) hypothetical protein 0.003 0.0274 0.2567
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0274 0.2567
Loa Loa (eye worm) hypothetical protein 0.003 0.0274 0.2567
Trichomonas vaginalis ap endonuclease, putative 0.0022 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.003 0.0274 0.0807
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0274 0.0807
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0274 0.0807
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0274 0.2567
Loa Loa (eye worm) hypothetical protein 0.003 0.0274 0.2567
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0274 0.3742
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0274 0.2567
Schistosoma mansoni retinoic acid receptor RXR 0.0126 0.3402 1
Loa Loa (eye worm) glutamate receptor 0.0044 0.0733 0.6859
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0055 0.1069 0.1069
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0274 0.3742
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0274 0.0274
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0274 0.0274

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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