Detailed information for compound 1757956

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 431.527 | Formula: C26H29N3O3
  • H donors: 1 H acceptors: 1 LogP: 4.67 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)c(OC)cc2c1cc(CNCc1cccc3c1cccc3)c(n2)N(C)C
  • InChi: 1S/C26H29N3O3/c1-29(2)26-19(16-27-15-18-11-8-10-17-9-6-7-12-20(17)18)13-21-22(28-26)14-23(30-3)25(32-5)24(21)31-4/h6-14,27H,15-16H2,1-5H3
  • InChiKey: DNELOMWZIWYHFA-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
Loa Loa (eye worm) hypothetical protein 0.0023 0.0886 0.1965
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0668 0.1434
Loa Loa (eye worm) hypothetical protein 0.0014 0.031 0.0688
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0668 0.1434
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0668 0.0668
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0886 0.5
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.4009 0.4009
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0303 0.065
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0886 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0886 0.1965
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0668 0.0668
Brugia malayi nuclear hormone receptor 0.002 0.0668 0.1434
Echinococcus multilocularis Ankyrin 0.0014 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0017 0.0512 0.1134
Echinococcus multilocularis jun protein 0.0082 0.4655 0.4655
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0668 0.0668
Schistosoma mansoni hypothetical protein 0.0166 1 1
Echinococcus granulosus jun protein 0.0082 0.4655 0.4655
Brugia malayi hypothetical protein 0.001 0.0072 0.0154
Loa Loa (eye worm) hypothetical protein 0.0017 0.0512 0.1134
Loa Loa (eye worm) hypothetical protein 0.008 0.4511 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.0014 0.0303 0.0671
Loa Loa (eye worm) hypothetical protein 0.0017 0.0512 0.1134
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0886 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0668 0.1434
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.4655 0.4655
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0668 0.148
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0886 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0668 0.0668
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0668 0.0668
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0668 0.1434
Mycobacterium ulcerans hypothetical protein 0.0023 0.0886 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.002 0.0668 0.148
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0668 0.1434
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0886 0.5
Onchocerca volvulus 0.0023 0.0886 0.2513
Schistosoma mansoni hypothetical protein 0.0166 1 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0512 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.0017 0.0512 0.1134
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0886 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0668 0.148
Brugia malayi ecdysteroid receptor 0.002 0.0668 0.1434
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0668 0.1434
Echinococcus multilocularis netrin receptor unc 5 0.0014 0.0303 0.0303
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0668 0.1434
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0668 0.0668
Echinococcus granulosus death domain containing protein 0.0014 0.0303 0.0303
Echinococcus granulosus Ankyrin 0.0014 0.031 0.031
Schistosoma mansoni coup transcription factor 0.002 0.0668 0.0668
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0886 0.5
Brugia malayi bZIP transcription factor family protein 0.0082 0.4655 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.0303 0.0303
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0303 0.0671
Schistosoma mansoni hypothetical protein 0.0014 0.0303 0.0303
Loa Loa (eye worm) hypothetical protein 0.002 0.0668 0.148
Brugia malayi Uncoordinated protein 44 0.0014 0.0303 0.065
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0668 0.0668
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0668 0.0668
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0668 0.1893
Loa Loa (eye worm) hypothetical protein 0.002 0.0668 0.148
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0886 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0072 0.0159
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0668 0.148
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0668 0.0668
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0886 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0668 0.148
Echinococcus multilocularis geminin 0.0166 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0668 0.148
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0886 0.1904
Loa Loa (eye worm) hypothetical protein 0.002 0.0668 0.148
Loa Loa (eye worm) hypothetical protein 0.0023 0.0886 0.1965
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.001 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.002 0.0668 0.148
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0886 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0886 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0668 0.0668
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.001 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.001 0.0072 0.0159
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0668 0.1434
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0668 0.0668
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0668 0.1434
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.4655 0.4655
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0668 0.0668
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0668 0.0668
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0886 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0072 0.0159
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0668 0.1893
Schistosoma mansoni thyroid hormone receptor 0.002 0.0668 0.0668
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.0303 0.0303
Schistosoma mansoni nuclear hormone receptor 0.002 0.0668 0.0668
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0886 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0072 0.0072
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0668 0.1893
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0668 0.148
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.001 0.0072 0.0159
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0668 0.148
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0668 0.148
Onchocerca volvulus 0.0064 0.3527 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.031 0.031
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0668 0.0668
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0512 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0886 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0668 0.0668
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0668 0.1434
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0886 1
Onchocerca volvulus Netrin receptor homolog 0.0014 0.0303 0.0858
Brugia malayi Protein kinase domain containing protein 0.0014 0.0303 0.065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0668 0.148
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0668 0.0668
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.001 0.0072 0.0072
Brugia malayi steroid hormone receptor 0.002 0.0668 0.1434
Brugia malayi hypothetical protein 0.001 0.0072 0.0154
Echinococcus granulosus FTZ F1 alpha 0.002 0.0668 0.0668
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0668 0.0668
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.001 0.0072 0.0159
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0886 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0668 0.0668
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0668 0.1434
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.0303 0.0303
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0886 0.5
Brugia malayi hypothetical protein 0.0064 0.3527 0.7577
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0668 0.1434
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0668 0.1434
Schistosoma mansoni hypothetical protein 0.0067 0.3671 0.3671
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0668 0.1434
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0668 0.1434
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0668 0.148
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0668 0.0668
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0512 0.139
Echinococcus granulosus netrin receptor unc 5 0.0014 0.0303 0.0303
Schistosoma mansoni jun-related protein 0.0067 0.3671 0.3671
Brugia malayi nuclear receptor NHR-88 0.002 0.0668 0.1434
Loa Loa (eye worm) hypothetical protein 0.002 0.0668 0.148
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0512 0.5
Brugia malayi nuclear receptor RXR 0.001 0.0072 0.0154
Loa Loa (eye worm) hypothetical protein 0.0017 0.0512 0.1134
Schistosoma mansoni thyroid hormone receptor 0.002 0.0668 0.0668
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.4009 0.4009
Brugia malayi Death domain containing protein 0.0014 0.0303 0.065
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0668 0.0668
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.001 0.0072 0.0159
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0886 0.1904
Schistosoma mansoni netrin receptor unc5 0.0014 0.0303 0.0303
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0072 0.0154
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0072 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0668 0.1434
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0886 0.1904
Onchocerca volvulus 0.002 0.0668 0.1893
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0668 0.0668

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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