Detailed information for compound 812769

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.516 | Formula: C22H34N2O4
  • H donors: 1 H acceptors: 1 LogP: 2.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1CN1CCC2(CC1)CCC(O2)CNC(=O)C(C)C)OC
  • InChi: 1S/C22H34N2O4/c1-16(2)21(25)23-14-19-7-8-22(28-19)9-11-24(12-10-22)15-17-13-18(26-3)5-6-20(17)27-4/h5-6,13,16,19H,7-12,14-15H2,1-4H3,(H,23,25)
  • InChiKey: NAWSSQAXAOGGHS-UHFFFAOYSA-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
Brugia malayi Nuclear hormone receptor-like 1 0.0113 0.0349 0.0349
Leishmania major malonyl-coa decarboxylase-like protein 0.0493 0.3561 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0113 0.0349 0.0349
Brugia malayi nuclear receptor NHR-88 0.0113 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.0113 0.0349 0.0349
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0113 0.0349 0.2519
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.1387 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.1387 0.1387
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0113 0.0349 0.0349
Brugia malayi photoreceptor-specific nuclear receptor 0.0113 0.0349 0.0349
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0113 0.0349 0.0349
Schistosoma mansoni steroid hormone receptor ad4bp 0.0113 0.0349 0.425
Echinococcus multilocularis geminin 0.0169 0.0822 0.5927
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0113 0.0349 0.425
Echinococcus multilocularis ecdysone induced protein 78C 0.0113 0.0349 0.2519
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0113 0.0349 0.2519
Schistosoma mansoni thyroid hormone receptor 0.0113 0.0349 0.425
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0113 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.0113 0.0349 0.0349
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0113 0.0349 0.0349
Echinococcus granulosus FTZ F1 alpha 0.0113 0.0349 0.2519
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0113 0.0349 0.0349
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0113 0.0349 0.0349
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0113 0.0349 0.0349
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0113 0.0349 0.2519
Loa Loa (eye worm) steroid hormone receptor 0.0113 0.0349 0.0349
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0113 0.0349 0.425
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0113 0.0349 0.425
Loa Loa (eye worm) hypothetical protein 0.1255 1 1
Schistosoma mansoni nuclear hormone receptor 0.0113 0.0349 0.425
Brugia malayi steroid hormone receptor 0.0113 0.0349 0.0349
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0113 0.0349 0.0349
Echinococcus multilocularis thyroid hormone receptor alpha 0.0113 0.0349 0.2519
Echinococcus granulosus geminin 0.0169 0.0822 0.5927
Schistosoma mansoni RAR-like nuclear receptor 0.0113 0.0349 0.425
Loa Loa (eye worm) hypothetical protein 0.0113 0.0349 0.0349
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0113 0.0349 0.0349
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0493 0.3561 0.5
Schistosoma mansoni hypothetical protein 0.0169 0.0822 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0113 0.0349 0.0349
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0113 0.0349 0.2519
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0113 0.0349 0.0349
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0113 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.0775 0.5944 0.5944
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0113 0.0349 0.2519
Onchocerca volvulus Bile acid receptor homolog 0.0775 0.5944 1
Brugia malayi Steroid receptor seven-up type 2 0.0113 0.0349 0.0349
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0493 0.3561 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0113 0.0349 0.2519
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0113 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.0113 0.0349 0.0349
Schistosoma mansoni thyroid hormone receptor 0.0113 0.0349 0.425
Schistosoma mansoni retinoic acid receptor RXR 0.0113 0.0349 0.425
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0113 0.0349 0.0349
Schistosoma mansoni coup transcription factor 0.0113 0.0349 0.425
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0113 0.0349 0.2519
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.1255 1 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0113 0.0349 0.2519
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0113 0.0349 0.0349
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0113 0.0349 0.2519
Brugia malayi nuclear hormone receptor 0.0113 0.0349 0.0349
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0113 0.0349 0.2519
Echinococcus multilocularis FTZ F1 alpha 0.0113 0.0349 0.2519
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0113 0.0349 0.0349
Brugia malayi ecdysteroid receptor 0.0775 0.5944 0.5944
Schistosoma mansoni hypothetical protein 0.0169 0.0822 1
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0493 0.3561 0.5
Loa Loa (eye worm) hypothetical protein 0.0113 0.0349 0.0349
Brugia malayi hypothetical protein 0.0236 0.1387 0.1387
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0113 0.0349 0.425
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0113 0.0349 0.2519
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0113 0.0349 0.0349
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0113 0.0349 0.425
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.1387 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0113 0.0349 0.425
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0113 0.0349 0.2519
Loa Loa (eye worm) hypothetical protein 0.0113 0.0349 0.0349
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0113 0.0349 0.2519
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0113 0.0349 0.0349
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0113 0.0349 0.2519
Loa Loa (eye worm) hypothetical protein 0.0113 0.0349 0.0349
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0113 0.0349 0.0349

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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