Detailed information for compound 615936

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.47 | Formula: C26H23FN2O4
  • H donors: 1 H acceptors: 4 LogP: 4.28 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)C1C(=C(C(=O)N1Cc1ccncc1)O)C(=O)c1ccc(c(c1)F)OC
  • InChi: 1S/C26H23FN2O4/c1-3-16-4-6-18(7-5-16)23-22(24(30)19-8-9-21(33-2)20(27)14-19)25(31)26(32)29(23)15-17-10-12-28-13-11-17/h4-14,23,31H,3,15H2,1-2H3
  • InChiKey: URTVQUFOHVGPAV-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
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0348 0.2145 0.2145
Echinococcus granulosus tumor protein p63 0.0337 0.2061 0.2061
Loa Loa (eye worm) hypothetical protein 0.0835 0.5894 1
Trichomonas vaginalis chromobox protein, putative 0.007 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0226 0.0383
Echinococcus granulosus thyroid hormone receptor alpha 0.0607 0.4138 0.4138
Brugia malayi Steroid receptor seven-up type 2 0.0348 0.2145 0.3639
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0348 0.2145 0.3639
Brugia malayi nuclear receptor NHR-67 0.0152 0.0637 0.108
Schistosoma mansoni thyroid hormone receptor 0.0348 0.2145 0.2145
Loa Loa (eye worm) hypothetical protein 0.0348 0.2145 0.3639
Echinococcus multilocularis thyroid hormone receptor alpha 0.0348 0.2145 0.2145
Loa Loa (eye worm) hypothetical protein 0.0122 0.0401 0.068
Schistosoma mansoni thyroid hormone receptor 0.0348 0.2145 0.2145
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0348 0.2145 0.3639
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0152 0.0637 0.043
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0152 0.0637 0.0637
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0348 0.2145 0.2145
Onchocerca volvulus Protein ultraspiracle homolog 0.0348 0.2145 0.3175
Loa Loa (eye worm) hypothetical protein 0.0122 0.0401 0.068
Echinococcus multilocularis FTZ F1 alpha 0.0348 0.2145 0.2145
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0348 0.2145 0.2145
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0348 0.2145 0.3639
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0196 0.0973 0.1651
Brugia malayi nuclear hormone receptor family member odr-7 0.0152 0.0637 0.108
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0348 0.2145 0.3639
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0348 0.2145 0.2145
Brugia malayi Nuclear hormone receptor-like 1 0.0196 0.0973 0.1651
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0348 0.2145 0.3639
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0226 0.0383
Brugia malayi nuclear receptor NHR-88 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0348 0.2145 0.3639
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Brugia malayi hypothetical protein 0.0196 0.0973 0.1651
Echinococcus multilocularis ecdysone induced protein 78C 0.0348 0.2145 0.2145
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0152 0.0637 0.043
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0348 0.2145 0.3639
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0152 0.0637 0.0637
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0348 0.2145 0.3639
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0152 0.0637 0.0637
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0348 0.2145 0.2145
Brugia malayi tailless protein 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0348 0.2145 0.2145
Loa Loa (eye worm) steroid hormone receptor 0.0803 0.5646 0.958
Loa Loa (eye worm) nuclear hormone receptor 0.0152 0.0637 0.108
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0196 0.0973 0.0973
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0348 0.2145 0.2145
Brugia malayi Nuclear hormone receptor E75 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0152 0.0637 0.0637
Schistosoma mansoni zinc finger protein 0.0152 0.0637 0.0637
Loa Loa (eye worm) hypothetical protein 0.0348 0.2145 0.3639
Echinococcus granulosus ecdysone induced protein 78C 0.0348 0.2145 0.2145
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0152 0.0637 0.108
Onchocerca volvulus 0.0152 0.0637 0.043
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0152 0.0637 0.0637
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0348 0.2145 0.2145
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0196 0.0973 0.0973
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0348 0.2145 0.3639
Brugia malayi hypothetical protein 0.0196 0.0973 0.1651
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0152 0.0637 0.0637
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0348 0.2145 0.3639
Loa Loa (eye worm) hypothetical protein 0.0348 0.2145 0.3639
Schistosoma mansoni nuclear receptor 0.0152 0.0637 0.0637
Echinococcus granulosus FTZ F1 alpha 0.0348 0.2145 0.2145
Brugia malayi Nuclear hormone receptor E75 0.0152 0.0637 0.108
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0348 0.2145 0.2145
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0348 0.2145 0.3639
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0196 0.0973 0.1651
Brugia malayi steroid hormone receptor 0.0803 0.5646 0.958
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0348 0.2145 0.2145
Brugia malayi nuclear hormone receptor 0.0152 0.0637 0.108
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0348 0.2145 0.3639
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0348 0.2145 0.2145
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0152 0.0637 0.0637
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0348 0.2145 0.3639
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0099 0.0226 0.0383
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0348 0.2145 0.2145
Echinococcus multilocularis tumor protein p63 0.0337 0.2061 0.2061
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0348 0.2145 0.3639
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0196 0.0973 0.1651
Loa Loa (eye worm) hypothetical protein 0.0196 0.0973 0.1651
Schistosoma mansoni nuclear hormone receptor 0.0152 0.0637 0.0637
Brugia malayi Nuclear hormone receptor-like 1 0.0348 0.2145 0.3639
Brugia malayi hypothetical protein 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0348 0.2145 0.3639
Brugia malayi ecdysone receptor 0.0152 0.0637 0.108
Schistosoma mansoni nuclear hormone receptor 0.0348 0.2145 0.2145
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0348 0.2145 0.3639
Schistosoma mansoni retinoic acid receptor RXR 0.0348 0.2145 0.2145
Schistosoma mansoni steroid hormone receptor ad4bp 0.0348 0.2145 0.2145
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0348 0.2145 0.3639
Onchocerca volvulus Bile acid receptor homolog 0.0835 0.5894 1
Brugia malayi hypothetical protein 0.0152 0.0637 0.108
Onchocerca volvulus 0.0348 0.2145 0.3175
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0196 0.0973 0.0973
Schistosoma mansoni coup transcription factor 0.0348 0.2145 0.2145
Schistosoma mansoni nuclear receptor nhr-48 0.0152 0.0637 0.0637
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0348 0.2145 0.3639
Brugia malayi orphan nuclear receptor NR2E1 0.0152 0.0637 0.108
Trichomonas vaginalis chromobox protein, putative 0.007 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0196 0.0973 0.1651
Schistosoma mansoni nuclear hormone receptor 0.0152 0.0637 0.0637
Brugia malayi nuclear receptor NHR-88 0.0348 0.2145 0.3639
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0348 0.2145 0.3639
Loa Loa (eye worm) hypothetical protein 0.0348 0.2145 0.3639
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0152 0.0637 0.0637
Schistosoma mansoni nuclear receptor 0.0152 0.0637 0.0637
Echinococcus multilocularis microtubule associated protein 2 0.1368 1 1
Brugia malayi conserved hypotetical protein 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0348 0.2145 0.3175
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0152 0.0637 0.0637
Brugia malayi ecdysteroid receptor 0.0835 0.5894 1
Onchocerca volvulus 0.0152 0.0637 0.043
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0348 0.2145 0.2145
Loa Loa (eye worm) hypothetical protein 0.0196 0.0973 0.1651
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0348 0.2145 0.2145
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0348 0.2145 0.2145
Brugia malayi nuclear hormone receptor family member nhr-6 0.0152 0.0637 0.108
Brugia malayi nuclear receptor RXR 0.0196 0.0973 0.1651
Brugia malayi photoreceptor-specific nuclear receptor 0.0348 0.2145 0.3639
Brugia malayi nuclear receptor RXR 0.0152 0.0637 0.108
Echinococcus granulosus Nuclear hormone receptor HR96 0.0152 0.0637 0.0637
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0348 0.2145 0.3639
Echinococcus multilocularis nuclear receptor nhr 48 0.0152 0.0637 0.0637
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0348 0.2145 0.2145
Brugia malayi hypothetical protein 0.0122 0.0401 0.068
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0348 0.2145 0.3639
Loa Loa (eye worm) hypothetical protein 0.0348 0.2145 0.3639
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0226 0.0383
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0348 0.2145 0.2145
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0348 0.2145 0.3639
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0348 0.2145 0.2145
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0152 0.0637 0.108
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0196 0.0973 0.0973
Schistosoma mansoni microtubule-associated protein tau 0.1368 1 1
Brugia malayi nuclear hormone receptor 0.0348 0.2145 0.3639
Loa Loa (eye worm) hypothetical protein 0.0196 0.0973 0.1651
Echinococcus granulosus nuclear receptor nhr 48 0.0152 0.0637 0.0637
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0348 0.2145 0.2145
Schistosoma mansoni RAR-like nuclear receptor 0.0348 0.2145 0.2145
Loa Loa (eye worm) nuclear receptor NHR-67 0.0152 0.0637 0.108
Echinococcus granulosus Nuclear hormone receptor HR96 0.0152 0.0637 0.0637
Loa Loa (eye worm) DR-78 0.0152 0.0637 0.108
Loa Loa (eye worm) hypothetical protein 0.0152 0.0637 0.108

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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