Detailed information for compound 830667

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.427 | Formula: C21H24N2O3
  • H donors: 2 H acceptors: 2 LogP: 0.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNCc1c(C(=O)O)n(c2c1cccc2)Cc1ccccc1
  • InChi: 1S/C21H24N2O3/c1-26-13-7-12-22-14-18-17-10-5-6-11-19(17)23(20(18)21(24)25)15-16-8-3-2-4-9-16/h2-6,8-11,22H,7,12-15H2,1H3,(H,24,25)
  • InChiKey: JHJBWKDXLLNNCB-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 thyroid hormone receptor alpha 0.0022 0.0493 0.0493
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0493 0.0493
Brugia malayi MH2 domain containing protein 0.0116 0.7735 0.7735
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0493 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0493 0.0493
Schistosoma mansoni tar DNA-binding protein 0.0061 0.355 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.355 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2551 0.2551
Brugia malayi steroid hormone receptor 0.0022 0.0493 0.0493
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0493 0.1388
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.3278 0.3278
Brugia malayi RNA binding protein 0.0061 0.355 0.355
Loa Loa (eye worm) hypothetical protein 0.004 0.1862 0.1862
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0493 0.1388
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0493 0.0493
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0493 0.1388
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0093 0.0262
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0093 0.0093
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0139 0.0139
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2551 0.2551
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0493 0.1388
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0493 0.0493
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0503 0.1417
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0093 0.0262
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0493 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0493 0.0493
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0493 0.0493
Brugia malayi Bromodomain containing protein 0.0037 0.168 0.168
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0493 0.0493
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0093 0.0262
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.355 0.355
Echinococcus multilocularis muscleblind protein 1 0.0145 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.1503 0.1503
Loa Loa (eye worm) RNA binding protein 0.0061 0.355 0.355
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0022 0.0493 0.0493
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0493 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0493 0.0493
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0493 0.0493
Schistosoma mansoni tar DNA-binding protein 0.0061 0.355 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0037 0.1685 0.1685
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0493 0.1388
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2551 0.2551
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0493 0.1388
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0493 0.0493
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0493 0.0493
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0493 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0493 0.0493
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0493 0.0493
Loa Loa (eye worm) PHD-finger family protein 0.002 0.036 0.036
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0493 0.1388
Schistosoma mansoni tar DNA-binding protein 0.0061 0.355 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.137 0.137
Loa Loa (eye worm) hypothetical protein 0.0041 0.2004 0.2004
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0493 0.0493
Echinococcus granulosus zinc finger protein 0.0019 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0033 0.137 0.137
Schistosoma mansoni tar DNA-binding protein 0.0061 0.355 1
Schistosoma mansoni hypothetical protein 0.002 0.036 0.1015
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0493 0.1388
Echinococcus multilocularis zinc finger protein 0.0019 0.0281 0.0281
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0503 0.0503
Loa Loa (eye worm) hypothetical protein 0.0022 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0022 0.0493 0.0493
Brugia malayi nuclear hormone receptor 0.0022 0.0493 0.0493
Echinococcus multilocularis muscleblind protein 0.0145 1 1
Onchocerca volvulus 0.0022 0.0493 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.7735 0.7735
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.355 0.355
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0493 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0493 0.0493
Brugia malayi nuclear receptor NHR-88 0.0022 0.0493 0.0493
Schistosoma mansoni bromodomain containing protein 0.0061 0.3545 0.9986
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0493 0.0493
Loa Loa (eye worm) TAR-binding protein 0.0061 0.355 0.355
Loa Loa (eye worm) hypothetical protein 0.0022 0.0493 0.0493
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0493 0.0493
Schistosoma mansoni zinc finger protein 0.0019 0.0281 0.0792
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0493 0.0493
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0493 0.0493
Echinococcus multilocularis tar DNA binding protein 0.0061 0.355 0.355
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.3278 0.3278
Brugia malayi Bromodomain containing protein 0.0073 0.442 0.442
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0493 0.0493
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0493 0.0493
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0493 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.137 0.3859
Brugia malayi TAR-binding protein 0.0061 0.355 0.355
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0493 0.0493
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0493 0.1388
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0093 0.0093
Echinococcus granulosus tar DNA binding protein 0.0061 0.355 0.355
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0493 0.0493
Echinococcus granulosus muscleblind protein 0.0145 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0069 0.4101 0.4101
Loa Loa (eye worm) hypothetical protein 0.0022 0.0493 0.0493
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0493 0.0493
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0493 0.1388
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0022 0.0493 0.0493
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0493 0.0493
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0493 0.0493
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0493 0.1388
Loa Loa (eye worm) hypothetical protein 0.0022 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0048 0.2551 0.2551
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0093 0.0262
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.7735 0.7735
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0493 0.0493
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0493 0.0493
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0503 0.0503
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0493 0.1388
Schistosoma mansoni coup transcription factor 0.0022 0.0493 0.1388
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0493 0.0493
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0017 0.0093 0.0093
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0493 0.0493
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0493 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0493 0.0493
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0493 0.0493
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.1503 0.1503
Brugia malayi ecdysteroid receptor 0.0022 0.0493 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0493 0.0493
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0093 0.0093
Brugia malayi PHD-finger family protein 0.0024 0.068 0.068

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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