Detailed information for compound 810609

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.431 | Formula: C24H21F3N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1cccc(c1)C(F)(F)F)NCC1Cc2c(O1)ccc(c2)c1ncccc1C
  • InChi: 1S/C24H21F3N2O2/c1-15-4-3-9-28-23(15)17-7-8-21-18(12-17)13-20(31-21)14-29-22(30)11-16-5-2-6-19(10-16)24(25,26)27/h2-10,12,20H,11,13-14H2,1H3,(H,29,30)
  • InChiKey: MYTSXUPFSHCYDR-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
Schistosoma mansoni nuclear receptor 0.0054 0.1099 0.0925
Schistosoma mansoni nuclear hormone receptor 0.0115 0.325 0.3118
Loa Loa (eye worm) nuclear hormone receptor 0.0054 0.1099 0.0925
Echinococcus multilocularis thyroid hormone receptor alpha 0.0115 0.325 0.3118
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0054 0.1099 0.0925
Loa Loa (eye worm) hypothetical protein 0.0115 0.325 0.3118
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0115 0.325 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0115 0.325 0.3118
Schistosoma mansoni RAR-like nuclear receptor 0.0115 0.325 0.3118
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0115 0.325 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Leishmania major importin beta-1 subunit, putative 0.0023 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0115 0.325 0.3118
Loa Loa (eye worm) hypothetical protein 0.0061 0.1329 0.1159
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0115 0.325 1
Brugia malayi nuclear receptor NHR-88 0.0054 0.1099 0.2966
Loa Loa (eye worm) hypothetical protein 0.0061 0.1329 0.1159
Brugia malayi Nuclear hormone receptor E75 0.0054 0.1099 0.2966
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0061 0.1329 0.1159
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0061 0.1329 0.1159
Brugia malayi conserved hypotetical protein 0.0054 0.1099 0.2966
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0115 0.325 1
Echinococcus multilocularis FTZ F1 alpha 0.0115 0.325 0.3118
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0115 0.325 0.3118
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0115 0.325 0.3118
Echinococcus granulosus nuclear receptor nhr 48 0.0054 0.1099 0.0925
Brugia malayi steroid hormone receptor 0.0115 0.325 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0061 0.1329 0.1159
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0115 0.325 0.3118
Echinococcus granulosus Nuclear hormone receptor HR96 0.0054 0.1099 0.0925
Brugia malayi hypothetical protein 0.0054 0.1099 0.2966
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0115 0.325 0.3118
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0115 0.325 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0061 0.1329 0.1159
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0115 0.325 0.3118
Echinococcus granulosus ecdysone induced protein 78C 0.0115 0.325 0.3118
Brugia malayi nuclear hormone receptor 0.0054 0.1099 0.2966
Brugia malayi Nuclear hormone receptor-like 1 0.0061 0.1329 0.3719
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0115 0.325 1
Schistosoma mansoni nuclear hormone receptor 0.0054 0.1099 0.0925
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0192 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0115 0.325 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0115 0.325 0.3118
Brugia malayi Nuclear hormone receptor E75 0.0054 0.1099 0.2966
Schistosoma mansoni nuclear receptor nhr-48 0.0054 0.1099 0.0925
Schistosoma mansoni hypothetical protein 0.0305 1 1
Schistosoma mansoni nuclear receptor 0.0054 0.1099 0.0925
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0115 0.325 1
Brugia malayi orphan nuclear receptor NR2E1 0.0054 0.1099 0.2966
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0054 0.1099 0.0925
Brugia malayi nuclear receptor NHR-67 0.0054 0.1099 0.2966
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Brugia malayi nuclear receptor NHR-88 0.0115 0.325 1
Echinococcus multilocularis snurportin 1 0.0305 1 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0192 0.5
Brugia malayi hypothetical protein 0.0061 0.1329 0.3719
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0115 0.325 0.3118
Schistosoma mansoni retinoic acid receptor RXR 0.0115 0.325 0.3118
Loa Loa (eye worm) nuclear receptor NHR-67 0.0054 0.1099 0.0925
Echinococcus granulosus Nuclear hormone receptor HR96 0.0054 0.1099 0.0925
Loa Loa (eye worm) DR-78 0.0054 0.1099 0.0925
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0054 0.1099 0.0925
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0115 0.325 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0115 0.325 0.3118
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0115 0.325 0.3118
Echinococcus multilocularis nuclear receptor nhr 48 0.0054 0.1099 0.0925
Schistosoma mansoni coup transcription factor 0.0115 0.325 0.3118
Echinococcus multilocularis ecdysone induced protein 78C 0.0115 0.325 0.3118
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0115 0.325 0.3118
Entamoeba histolytica hypothetical protein 0.0023 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0115 0.325 0.3118
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Brugia malayi nuclear hormone receptor family member odr-7 0.0054 0.1099 0.2966
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0115 0.325 1
Brugia malayi Nuclear hormone receptor-like 1 0.0115 0.325 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0192 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0115 0.325 0.3118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0115 0.325 0.3118
Brugia malayi ecdysteroid receptor 0.0115 0.325 1
Brugia malayi RNA, U transporter 1 0.0081 0.2061 0.6112
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0115 0.325 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0115 0.325 0.3118
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0115 0.325 0.3118
Schistosoma mansoni steroid hormone receptor ad4bp 0.0115 0.325 0.3118
Onchocerca volvulus 0.0115 0.325 1
Schistosoma mansoni nuclear hormone receptor 0.0054 0.1099 0.0925
Schistosoma mansoni thyroid hormone receptor 0.0115 0.325 0.3118
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0115 0.325 0.3118
Brugia malayi Steroid receptor seven-up type 2 0.0115 0.325 1
Plasmodium falciparum importin beta, putative 0.0029 0.0192 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.325 0.3118
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.1099 0.0925
Brugia malayi nuclear receptor RXR 0.0054 0.1099 0.2966
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0115 0.325 0.3118
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Loa Loa (eye worm) hypothetical protein 0.0115 0.325 0.3118
Loa Loa (eye worm) hypothetical protein 0.0115 0.325 0.3118
Loa Loa (eye worm) hypothetical protein 0.0061 0.1329 0.1159
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0054 0.1099 0.0925
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0115 0.325 1
Brugia malayi hypothetical protein 0.0061 0.1329 0.3719
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Brugia malayi hypothetical protein 0.0054 0.1099 0.2966
Loa Loa (eye worm) hypothetical protein 0.0115 0.325 0.3118
Loa Loa (eye worm) hypothetical protein 0.0061 0.1329 0.1159
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0115 0.325 0.3118
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0054 0.1099 0.0925
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0115 0.325 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.1099 0.0925
Brugia malayi photoreceptor-specific nuclear receptor 0.0115 0.325 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0115 0.325 0.3118
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0054 0.1099 0.0925
Brugia malayi nuclear hormone receptor family member nhr-6 0.0054 0.1099 0.2966
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0054 0.1099 0.0925
Brugia malayi ecdysone receptor 0.0054 0.1099 0.2966
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0115 0.325 0.3118
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0115 0.325 0.3118
Brugia malayi tailless protein 0.0054 0.1099 0.2966
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Echinococcus granulosus FTZ F1 alpha 0.0115 0.325 0.3118
Echinococcus granulosus thyroid hormone receptor alpha 0.0054 0.1099 0.0925
Brugia malayi Nuclear hormone receptor-like 1 0.0061 0.1329 0.3719
Loa Loa (eye worm) hypothetical protein 0.0115 0.325 0.3118
Schistosoma mansoni zinc finger protein 0.0054 0.1099 0.0925
Onchocerca volvulus Bile acid receptor homolog 0.0115 0.325 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0115 0.325 0.3118
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0115 0.325 0.3118
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0054 0.1099 0.0925
Loa Loa (eye worm) hypothetical protein 0.0115 0.325 0.3118
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0061 0.1329 0.1159
Onchocerca volvulus Protein ultraspiracle homolog 0.0115 0.325 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.325 0.3118
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Brugia malayi nuclear hormone receptor 0.0115 0.325 1
Schistosoma mansoni thyroid hormone receptor 0.0115 0.325 0.3118
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Loa Loa (eye worm) hypothetical protein 0.0061 0.1329 0.1159
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0115 0.325 1
Brugia malayi nuclear receptor RXR 0.0061 0.1329 0.3719
Loa Loa (eye worm) hypothetical protein 0.0054 0.1099 0.0925
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0192 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0115 0.325 0.3118
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0115 0.325 0.3118
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0054 0.1099 0.2966

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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