Detailed information for compound 812772

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.572 | Formula: C26H33N5O3
  • H donors: 1 H acceptors: 3 LogP: 2.9 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1C)C)OC
  • InChi: 1S/C26H33N5O3/c1-18-5-7-22(19(2)15-18)26(32)27-11-9-24-28-29-25-10-12-30(13-14-31(24)25)17-20-16-21(33-3)6-8-23(20)34-4/h5-8,15-16H,9-14,17H2,1-4H3,(H,27,32)
  • InChiKey: TWGULPVVRTVBIK-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 granulosus zinc finger protein 0.0019 0.0009 0.0054
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0074 0.0432
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0033 0.019
Brugia malayi MH2 domain containing protein 0.0119 0.0792 0.0792
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0028 0.0074 0.0074
Schistosoma mansoni hypothetical protein 0.0048 0.0235 0.1977
Echinococcus multilocularis FTZ F1 alpha 0.0028 0.0074 0.0432
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0028 0.0074 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0028 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0028 0.0074 0.0074
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0028 0.0074 0.0432
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0074 0.0432
Loa Loa (eye worm) hypothetical protein 0.1288 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0074 0.0074
Brugia malayi Steroid receptor seven-up type 2 0.0028 0.0074 0.0074
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0028 0.0074 0.0432
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0028 0.0074 0.0623
Loa Loa (eye worm) hypothetical protein 0.0028 0.0074 0.0074
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0324 0.189
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0506 0.3842 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0028 0.0074 0.0623
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0074 0.0432
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0018 0.0018
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.1714 1
Brugia malayi steroid hormone receptor 0.0028 0.0074 0.0074
Leishmania major malonyl-coa decarboxylase-like protein 0.0506 0.3842 0.5
Schistosoma mansoni hypothetical protein 0.0021 0.0018 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0028 0.0074 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.0074 0.0074
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0028 0.0074 0.0623
Echinococcus multilocularis geminin 0.0169 0.1187 0.6927
Loa Loa (eye worm) hypothetical protein 0.0028 0.0074 0.0074
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.0074 0.0074
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0028 0.0074 0.0432
Brugia malayi PHD-finger family protein 0.0025 0.0051 0.0051
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0074 0.0074
Echinococcus multilocularis ecdysone induced protein 78C 0.0028 0.0074 0.0432
Brugia malayi nuclear hormone receptor 0.0028 0.0074 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.0074 0.0074
Brugia malayi Bromodomain containing protein 0.0075 0.0444 0.0444
Onchocerca volvulus Bile acid receptor homolog 0.0177 0.1249 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0028 0.0074 0.0432
Loa Loa (eye worm) hypothetical protein 0.0041 0.0175 0.0175
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0028 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.007 0.041 0.041
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0033 0.0274
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.1714 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0074 0.0074
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0074 0.0623
Schistosoma mansoni coup transcription factor 0.0028 0.0074 0.0623
Schistosoma mansoni hypothetical protein 0.0169 0.1187 1
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0506 0.3842 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0028 0.0074 0.0432
Loa Loa (eye worm) hypothetical protein 0.0038 0.0157 0.0157
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0506 0.3842 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0028 0.0074 0.0432
Schistosoma mansoni RAR-like nuclear receptor 0.0028 0.0074 0.0623
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0324 0.189
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0074 0.0074
Echinococcus multilocularis zinc finger protein 0.0019 0.0009 0.0054
Loa Loa (eye worm) hypothetical protein 0.0177 0.1249 0.1249
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.0074 0.0074
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0028 0.0074 0.0432
Brugia malayi ecdysteroid receptor 0.0177 0.1249 0.1249
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.0074 0.0074
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0033 0.019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.0074 0.0074
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0074 0.0623
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0792 0.0792
Brugia malayi Bromodomain containing protein 0.0038 0.0156 0.0156
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0028 0.0074 0.0432
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0028 0.0074 0.0432
Brugia malayi hypothetical protein 0.0236 0.1714 0.1714
Schistosoma mansoni survival motor neuron protein 0.0048 0.0235 0.1977
Loa Loa (eye worm) hypothetical protein 0.0028 0.0074 0.0074
Schistosoma mansoni hypothetical protein 0.0169 0.1187 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0137 0.0802
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0074 0.0623
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0236 0.1714 0.1714
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0028 0.0074 0.0432
Brugia malayi nuclear receptor NHR-88 0.0028 0.0074 0.0074
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.0074 0.0074
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0792 0.0792
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0137 0.0802
Loa Loa (eye worm) hypothetical protein 0.0028 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0028 0.0074 0.0074
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0028 0.0074 0.0432
Brugia malayi photoreceptor-specific nuclear receptor 0.0028 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0028 0.0074 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0028 0.0074 0.0074
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.1288 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0074 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0028 0.0074 0.0074
Schistosoma mansoni bromodomain containing protein 0.0063 0.0352 0.2964
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0028 0.0074 0.0623
Echinococcus granulosus FTZ F1 alpha 0.0028 0.0074 0.0432
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0074 0.0623
Onchocerca volvulus 0.0048 0.0235 0.1368
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0028 0.0074 0.0623
Schistosoma mansoni retinoic acid receptor RXR 0.0028 0.0074 0.0623
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0235 0.0235
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0074 0.0432
Echinococcus granulosus geminin 0.0169 0.1187 0.6927
Loa Loa (eye worm) hypothetical protein 0.0042 0.019 0.019
Schistosoma mansoni zinc finger protein 0.0019 0.0009 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.0074 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0074 0.0074
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0028 0.0074 0.0623

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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