Detailed information for compound 1704886

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 642.665 | Formula: C33H37F3N4O6
  • H donors: 3 H acceptors: 3 LogP: 4.46 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@@H](N1C[C@H](C)[C@@H](CN(Cc2ccc(cc2)C(F)(F)F)C)Oc2c(CC1=O)cc(cc2)NC(=O)Nc1ccc2c(c1)OCO2)C
  • InChi: 1S/C33H37F3N4O6/c1-20-15-40(21(2)18-41)31(42)13-23-12-25(37-32(43)38-26-9-11-28-29(14-26)45-19-44-28)8-10-27(23)46-30(20)17-39(3)16-22-4-6-24(7-5-22)33(34,35)36/h4-12,14,20-21,30,41H,13,15-19H2,1-3H3,(H2,37,38,43)/t20-,21-,30+/m0/s1
  • InChiKey: UEDLRIRBQUSIHX-FNFPNEPISA-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
Onchocerca volvulus Protein ultraspiracle homolog 0.0083 0.3271 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0083 0.3271 1
Brugia malayi nuclear receptor NHR-88 0.0083 0.3271 1
Echinococcus multilocularis geminin 0.0164 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0083 0.3271 0.3271
Schistosoma mansoni nuclear hormone receptor 0.0083 0.3271 0.3271
Schistosoma mansoni steroid hormone receptor ad4bp 0.0083 0.3271 0.3271
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0083 0.3271 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0083 0.3271 0.3271
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0083 0.3271 1
Schistosoma mansoni RAR-like nuclear receptor 0.0083 0.3271 0.3271
Schistosoma mansoni hypothetical protein 0.0164 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0083 0.3271 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0083 0.3271 0.3271
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0083 0.3271 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0083 0.3271 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0083 0.3271 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0083 0.3271 0.3271
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0083 0.3271 0.3271
Loa Loa (eye worm) steroid hormone receptor 0.0083 0.3271 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0083 0.3271 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0083 0.3271 0.3271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0083 0.3271 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0083 0.3271 0.3271
Loa Loa (eye worm) hypothetical protein 0.0083 0.3271 1
Echinococcus granulosus ecdysone induced protein 78C 0.0083 0.3271 0.3271
Echinococcus multilocularis thyroid hormone receptor alpha 0.0083 0.3271 0.3271
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0083 0.3271 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0083 0.3271 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0083 0.3271 0.3271
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0083 0.3271 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0083 0.3271 0.3271
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0083 0.3271 0.3271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0083 0.3271 1
Brugia malayi Nuclear hormone receptor-like 1 0.0083 0.3271 1
Onchocerca volvulus 0.0083 0.3271 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0083 0.3271 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.3271 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.3271 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0083 0.3271 1
Schistosoma mansoni retinoic acid receptor RXR 0.0083 0.3271 0.3271
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0083 0.3271 0.3271
Echinococcus multilocularis FTZ F1 alpha 0.0083 0.3271 0.3271
Loa Loa (eye worm) hypothetical protein 0.0083 0.3271 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0083 0.3271 0.3271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0083 0.3271 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0083 0.3271 0.3271
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0083 0.3271 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0083 0.3271 0.3271
Loa Loa (eye worm) hypothetical protein 0.0083 0.3271 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0083 0.3271 0.3271
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0083 0.3271 0.3271
Echinococcus granulosus FTZ F1 alpha 0.0083 0.3271 0.3271
Loa Loa (eye worm) hypothetical protein 0.0083 0.3271 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.3271 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0083 0.3271 1
Brugia malayi steroid hormone receptor 0.0083 0.3271 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0083 0.3271 1
Schistosoma mansoni thyroid hormone receptor 0.0083 0.3271 0.3271
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0083 0.3271 0.3271
Loa Loa (eye worm) hypothetical protein 0.0083 0.3271 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0083 0.3271 1
Brugia malayi ecdysteroid receptor 0.0083 0.3271 1
Schistosoma mansoni coup transcription factor 0.0083 0.3271 0.3271
Schistosoma mansoni hypothetical protein 0.0164 1 1
Brugia malayi nuclear hormone receptor 0.0083 0.3271 1
Onchocerca volvulus Bile acid receptor homolog 0.0083 0.3271 0.5
Schistosoma mansoni thyroid hormone receptor 0.0083 0.3271 0.3271
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0083 0.3271 0.3271
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0083 0.3271 0.3271
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0083 0.3271 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0083 0.3271 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0083 0.3271 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0083 0.3271 0.3271

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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