Detailed information for compound 449275

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 490.619 | Formula: C25H37F3O4S
  • H donors: 2 H acceptors: 4 LogP: 5.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1C[C@@H](O)C(=C)C(=C/C=C\2/CCC[C@@]3([C@H]2CCC3[C@H](CCCS(=O)(=O)C(F)(F)F)C)C)C1
  • InChi: 1S/C25H37F3O4S/c1-16(6-5-13-33(31,32)25(26,27)28)21-10-11-22-18(7-4-12-24(21,22)3)8-9-19-14-20(29)15-23(30)17(19)2/h8-9,16,20-23,29-30H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21?,22+,23+,24-/m1/s1
  • InChiKey: LNESDZQMHHMANP-LKZOQLJESA-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 granulosus FTZ F1 alpha 0.0307 0.3414 1
Schistosoma mansoni nuclear receptor 0.0145 0.1274 0.2937
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0307 0.3414 1
Onchocerca volvulus 0.0145 0.1274 0.2937
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0307 0.3414 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0307 0.3414 0.315
Brugia malayi nuclear receptor NHR-88 0.0145 0.1274 0.3733
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0307 0.3414 1
Echinococcus multilocularis FTZ F1 alpha 0.0307 0.3414 0.315
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0307 0.3414 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0307 0.3414 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0162 0.1503 0.1163
Brugia malayi ecdysteroid receptor 0.0307 0.3414 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0145 0.1274 0.2937
Plasmodium falciparum LCCL domain-containing protein 0.0077 0.0385 0.5
Loa Loa (eye worm) hypothetical protein 0.0162 0.1503 0.4404
Loa Loa (eye worm) nuclear hormone receptor 0.0145 0.1274 0.3733
Brugia malayi hypothetical protein 0.0162 0.1503 0.4404
Brugia malayi hypothetical protein 0.0145 0.1274 0.3733
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0307 0.3414 0.315
Loa Loa (eye worm) hypothetical protein 0.0307 0.3414 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.1503 0.4404
Echinococcus granulosus thyroid hormone receptor alpha 0.0145 0.1274 0.2937
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Loa Loa (eye worm) hypothetical protein 0.0307 0.3414 1
Schistosoma mansoni retinoic acid receptor RXR 0.0307 0.3414 1
Schistosoma mansoni nuclear hormone receptor 0.0145 0.1274 0.2937
Loa Loa (eye worm) hypothetical protein 0.0162 0.1503 0.4404
Brugia malayi photoreceptor-specific nuclear receptor 0.0307 0.3414 1
Brugia malayi Steroid receptor seven-up type 2 0.0307 0.3414 1
Brugia malayi tailless protein 0.0145 0.1274 0.3733
Echinococcus granulosus ecdysone induced protein 78C 0.0307 0.3414 1
Brugia malayi Nuclear hormone receptor E75 0.0145 0.1274 0.3733
Schistosoma mansoni coup transcription factor 0.0307 0.3414 1
Schistosoma mansoni nuclear hormone receptor 0.0307 0.3414 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0307 0.3414 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0162 0.1503 0.4404
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0162 0.1503 0.3693
Echinococcus multilocularis thyroid hormone receptor alpha 0.0307 0.3414 0.315
Schistosoma mansoni nuclear hormone receptor 0.0145 0.1274 0.2937
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0307 0.3414 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0145 0.1274 0.2937
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0307 0.3414 1
Loa Loa (eye worm) DR-78 0.0145 0.1274 0.3733
Brugia malayi orphan nuclear receptor NR2E1 0.0145 0.1274 0.3733
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0145 0.1274 0.0925
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0307 0.3414 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0145 0.1274 0.2937
Brugia malayi nuclear hormone receptor family member odr-7 0.0145 0.1274 0.3733
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0145 0.1274 0.0925
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0307 0.3414 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0145 0.1274 0.3733
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0307 0.3414 0.315
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Schistosoma mansoni thyroid hormone receptor 0.0307 0.3414 1
Brugia malayi steroid hormone receptor 0.0307 0.3414 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0307 0.3414 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0162 0.1503 0.3693
Echinococcus granulosus nuclear receptor nhr 48 0.0145 0.1274 0.2937
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0145 0.1274 0.2937
Echinococcus granulosus Nuclear hormone receptor HR96 0.0145 0.1274 0.2937
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0307 0.3414 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0145 0.1274 0.2937
Onchocerca volvulus Protein ultraspiracle homolog 0.0307 0.3414 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0385 0.1127
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0307 0.3414 0.315
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Brugia malayi hypothetical protein 0.0077 0.0385 0.1127
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0307 0.3414 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0307 0.3414 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.3414 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Loa Loa (eye worm) nuclear receptor NHR-67 0.0145 0.1274 0.3733
Brugia malayi hypothetical protein 0.0077 0.0385 0.1127
Schistosoma mansoni RAR-like nuclear receptor 0.0307 0.3414 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0307 0.3414 1
Loa Loa (eye worm) doublecortin family protein 0.0077 0.0385 0.1127
Onchocerca volvulus Bile acid receptor homolog 0.0307 0.3414 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0307 0.3414 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0307 0.3414 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0307 0.3414 0.315
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0307 0.3414 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0307 0.3414 1
Schistosoma mansoni lipoxygenase 0.0216 0.2222 0.6066
Brugia malayi Nuclear hormone receptor-like 1 0.0162 0.1503 0.4404
Schistosoma mansoni thyroid hormone receptor 0.0307 0.3414 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0077 0.0385 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0307 0.3414 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0216 0.2222 0.1911
Loa Loa (eye worm) hypothetical protein 0.0307 0.3414 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0216 0.2222 0.6066
Brugia malayi nuclear receptor NHR-67 0.0145 0.1274 0.3733
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0307 0.3414 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0307 0.3414 1
Schistosoma mansoni nuclear receptor nhr-48 0.0145 0.1274 0.2937
Brugia malayi Doublecortin family protein 0.0077 0.0385 0.1127
Schistosoma mansoni zinc finger protein 0.0145 0.1274 0.2937
Echinococcus multilocularis ecdysone induced protein 78C 0.0307 0.3414 0.315
Brugia malayi nuclear hormone receptor 0.0307 0.3414 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0307 0.3414 1
Brugia malayi hypothetical protein 0.0162 0.1503 0.4404
Brugia malayi nuclear receptor RXR 0.0145 0.1274 0.3733
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0307 0.3414 0.315
Loa Loa (eye worm) hypothetical protein 0.0162 0.1503 0.4404
Loa Loa (eye worm) hypothetical protein 0.0077 0.0385 0.1127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0307 0.3414 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0145 0.1274 0.3733
Brugia malayi conserved hypotetical protein 0.0145 0.1274 0.3733
Echinococcus multilocularis nuclear receptor nhr 48 0.0145 0.1274 0.0925
Loa Loa (eye worm) hypothetical protein 0.0307 0.3414 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0145 0.1274 0.0925
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0307 0.3414 1
Brugia malayi Nuclear hormone receptor-like 1 0.0307 0.3414 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0145 0.1274 0.2937
Onchocerca volvulus 0.0145 0.1274 0.2937
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0307 0.3414 1
Schistosoma mansoni nuclear receptor 0.0145 0.1274 0.2937
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Brugia malayi Nuclear hormone receptor E75 0.0145 0.1274 0.3733
Onchocerca volvulus 0.0307 0.3414 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0307 0.3414 1
Brugia malayi nuclear hormone receptor 0.0145 0.1274 0.3733
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0145 0.1274 0.0925
Loa Loa (eye worm) hypothetical protein 0.0307 0.3414 1
Brugia malayi ecdysone receptor 0.0145 0.1274 0.3733
Loa Loa (eye worm) hypothetical protein 0.0162 0.1503 0.4404
Loa Loa (eye worm) hypothetical protein 0.0307 0.3414 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0307 0.3414 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0145 0.1274 0.3733
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0307 0.3414 1
Brugia malayi nuclear receptor RXR 0.0162 0.1503 0.4404
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0307 0.3414 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0307 0.3414 1
Brugia malayi nuclear receptor NHR-88 0.0307 0.3414 1
Loa Loa (eye worm) steroid hormone receptor 0.0307 0.3414 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0307 0.3414 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.3414 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0145 0.1274 0.0925
Loa Loa (eye worm) hypothetical protein 0.0145 0.1274 0.3733
Brugia malayi Nuclear hormone receptor-like 1 0.0162 0.1503 0.4404
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0162 0.1503 0.3693
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0307 0.3414 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0307 0.3414 1
Brugia malayi hypothetical protein 0.0145 0.1274 0.3733
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0145 0.1274 0.2937
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0307 0.3414 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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