Detailed information for compound 1465103

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.537 | Formula: C27H29N3O3
  • H donors: 1 H acceptors: 2 LogP: 4.13 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1C)Oc1ccc(cc1)CC(=O)N1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C27H29N3O3/c1-21-7-5-6-10-25(21)28-27(32)33-24-13-11-22(12-14-24)19-26(31)30-17-15-29(16-18-30)20-23-8-3-2-4-9-23/h2-14H,15-20H2,1H3,(H,28,32)
  • InChiKey: OABWYXXWSIEQHQ-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
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0009 0.0038 0.0064
Loa Loa (eye worm) hypothetical protein 0.0009 0.0038 0.0038
Echinococcus multilocularis vesicular acetylcholine transporter 0.071 0.5987 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0038 0.0064
Giardia lamblia Histone acetyltransferase GCN5 0.0037 0.0269 0.5
Brugia malayi N-terminal motif family protein 0.0006 0.0008 0.0008
Echinococcus granulosus vesicular acetylcholine transporter 0.071 0.5987 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0038 0.0064
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0008 0.0013
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0008
Echinococcus granulosus segment polarity protein dishevelled 0.0008 0.0028 0.0047
Schistosoma mansoni regulator of G protein signaling 0.0008 0.0028 0.0047
Echinococcus multilocularis ras GTP exchange factor 0.0006 0.0008 0.0013
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0009 0.0038 0.0064
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0034 0.0245 0.0408
Echinococcus multilocularis ecdysone induced protein 78C 0.0009 0.0038 0.0064
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0009 0.0038 0.0064
Loa Loa (eye worm) hypothetical protein 0.0604 0.509 0.509
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0038 0.0064
Echinococcus multilocularis segment polarity protein dishevelled 0.0008 0.0028 0.0047
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0038 0.0064
Entamoeba histolytica hypothetical protein 0.0034 0.0245 0.9055
Echinococcus granulosus FTZ F1 alpha 0.0009 0.0038 0.0064
Brugia malayi ecdysteroid receptor 0.0009 0.0038 0.0038
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.071 0.5987 1
Schistosoma mansoni coup transcription factor 0.0009 0.0038 0.0064
Echinococcus granulosus Protein son of sevenless 0.0006 0.0008 0.0013
Schistosoma mansoni transcription factor LCR-F1 0.0034 0.0245 0.0408
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0038 0.0038
Brugia malayi acetyltransferase, GNAT family protein 0.0136 0.1114 0.1114
Entamoeba histolytica hypothetical protein 0.0034 0.0245 0.9055
Echinococcus granulosus segment polarity protein dishevelled 0.0008 0.0028 0.0047
Echinococcus multilocularis FTZ F1 alpha 0.0009 0.0038 0.0064
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0136 0.1114 0.1861
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.004 0.0298 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0008 0.0028 0.0034
Schistosoma mansoni hypothetical protein 0.0159 0.131 0.2188
Schistosoma mansoni hypothetical protein 0.0159 0.131 0.2188
Onchocerca volvulus Protein ultraspiracle homolog 0.0009 0.0038 0.005
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0008 0.0013
Brugia malayi Steroid receptor seven-up type 2 0.0009 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0009 0.0038 0.0038
Entamoeba histolytica acetyltransferase, GNAT family 0.0037 0.0269 1
Echinococcus granulosus geminin 0.0159 0.131 0.2188
Schistosoma mansoni dishevelled 0.0008 0.0028 0.0047
Echinococcus granulosus histone acetyltransferase KAT2B 0.004 0.0298 0.0497
Schistosoma mansoni dishevelled 0.0008 0.0028 0.0047
Echinococcus granulosus son of sevenless 1 0.0006 0.0008 0.0013
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0008 0.0028 0.0047
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0008 0.0013
Brugia malayi regulator of G-protein signaling egl-10 0.0008 0.0028 0.0028
Echinococcus multilocularis geminin 0.0159 0.131 0.2188
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0038 0.0038
Schistosoma mansoni hypothetical protein 0.0034 0.0245 0.0408
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.017 0.1398 0.2325
Onchocerca volvulus 0.0009 0.0038 0.005
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0038 0.0038
Brugia malayi nuclear hormone receptor 0.0009 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0009 0.0038 0.0038
Trichomonas vaginalis bromodomain-containing protein, putative 0.004 0.0298 1
Schistosoma mansoni vesicular acetylcholine transporter 0.071 0.5987 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0009 0.0038 0.0064
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0006 0.0005 0.0009
Echinococcus multilocularis segment polarity protein dishevelled 0.0008 0.0028 0.0047
Onchocerca volvulus Bile acid receptor homolog 0.0009 0.0038 0.005
Loa Loa (eye worm) hypothetical protein 0.1183 1 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0008 0.0028 0.0028
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0034 0.0245 0.0408
Loa Loa (eye worm) hypothetical protein 0.0009 0.0038 0.0038
Brugia malayi RasGEF domain containing protein 0.0006 0.0008 0.0008
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0009 0.0038 0.0064
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0008 0.0028 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0009 0.0038 0.0038
Plasmodium falciparum histone acetyltransferase GCN5 0.0037 0.0269 0.5
Echinococcus granulosus Pleckstrin G protein interacting region 0.0008 0.0028 0.0047
Plasmodium vivax histone acetyltransferase GCN5, putative 0.004 0.0298 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0009 0.0038 0.0064
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0009 0.0038 0.0064
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0008 0.0013
Echinococcus multilocularis son of sevenless 1 0.0006 0.0008 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0009 0.0038 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0009 0.0038 0.0038
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.004 0.0298 1
Brugia malayi N-terminal motif family protein 0.0006 0.0008 0.0008
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.071 0.5987 0.5987
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0009 0.0038 0.0064
Echinococcus multilocularis regulator of G protein signaling 7 0.0008 0.0028 0.0047
Loa Loa (eye worm) RasGEF domain-containing protein 0.0006 0.0008 0.0008
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0038 0.0064
Loa Loa (eye worm) hypothetical protein 0.0009 0.0038 0.0038
Brugia malayi hypothetical protein 0.0034 0.0245 0.0245
Brugia malayi steroid hormone receptor 0.0009 0.0038 0.0038
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0006 0.0008 0.0013
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0009 0.0038 0.0064
Brugia malayi RasGEF domain containing protein 0.0006 0.0008 0.0008
Onchocerca volvulus 0.0008 0.0028 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0009 0.0038 0.0038
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0038 0.0064
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0009 0.0038 0.0064
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0009 0.0038 0.0064
Echinococcus granulosus regulator of G protein signaling 7 0.0008 0.0028 0.0047
Loa Loa (eye worm) hypothetical protein 0.0008 0.0028 0.0028
Echinococcus multilocularis Protein son of sevenless 0.0006 0.0008 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0009 0.0038 0.0038
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0009 0.0038 0.0064
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0009 0.0038 0.0038
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0008 0.0013
Echinococcus granulosus regulator of G protein signaling 7 0.0008 0.0028 0.0047
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0008 0.0028 0.0028
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0008 0.0028 0.0028
Loa Loa (eye worm) acetyltransferase 0.0136 0.1114 0.1114
Brugia malayi nuclear receptor NHR-88 0.0009 0.0038 0.0038
Loa Loa (eye worm) steroid hormone receptor 0.0009 0.0038 0.0038
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0038 0.0038
Echinococcus granulosus ras GTP exchange factor 0.0006 0.0008 0.0013
Brugia malayi hypothetical protein 0.0008 0.0028 0.0028
Brugia malayi photoreceptor-specific nuclear receptor 0.0009 0.0038 0.0038
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0038 0.0064
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0038 0.0064
Loa Loa (eye worm) hypothetical protein 0.0008 0.0028 0.0028
Echinococcus multilocularis regulator of G protein signaling 7 0.0008 0.0028 0.0047
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0009 0.0038 0.005
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0009 0.0038 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0009 0.0038 0.0038
Trypanosoma brucei C-8 sterol isomerase, putative 0.1183 1 0.5
Leishmania major C-8 sterol isomerase-like protein 0.1183 1 0.5
Brugia malayi hypothetical protein 0.0008 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.017 0.1398 0.1398
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0009 0.0038 0.0038
Echinococcus granulosus ecdysone induced protein 78C 0.0009 0.0038 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0009 0.0038 0.0038
Schistosoma mansoni dep domain containing protein 0.0008 0.0028 0.0047
Entamoeba histolytica hypothetical protein 0.0034 0.0245 0.9055
Echinococcus granulosus histone acetyltransferase KAT2B 0.0132 0.1082 0.1807
Echinococcus multilocularis thyroid hormone receptor alpha 0.0009 0.0038 0.0064
Schistosoma mansoni retinoic acid receptor RXR 0.0009 0.0038 0.0064
Loa Loa (eye worm) RasGEF domain-containing protein 0.0006 0.0008 0.0008
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0009 0.0038 0.0064
Loa Loa (eye worm) hypothetical protein 0.0006 0.0008 0.0008
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.004 0.0298 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0038 0.0038
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0009 0.0038 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0009 0.0038 0.0038
Loa Loa (eye worm) RasGEF domain-containing protein 0.0006 0.0008 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0009 0.0038 0.0038
Brugia malayi DIX domain containing protein 0.0008 0.0028 0.0028
Entamoeba histolytica hypothetical protein 0.0034 0.0245 0.9055
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0009 0.0038 0.0038
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0009 0.0038 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0009 0.0038 0.0038
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0136 0.1114 0.1861
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0006 0.0008 0.0013
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0006 0.0008 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0038 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0009 0.0038 0.0038
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0006 0.0008 0.0013
Brugia malayi RasGEF domain containing protein 0.0006 0.0008 0.0008
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0038 0.0038
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1183 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0038 0.0038
Brugia malayi N-terminal motif family protein 0.017 0.1398 0.1398
Schistosoma mansoni RAR-like nuclear receptor 0.0009 0.0038 0.0064
Loa Loa (eye worm) DIX domain-containing protein 0.0008 0.0028 0.0028
Brugia malayi vesicular acetylcholine transporter unc-17 0.071 0.5987 0.5987
Schistosoma mansoni z-protein (S1r protein) 0.0008 0.0028 0.0047
Loa Loa (eye worm) hypothetical protein 0.0008 0.0028 0.0028

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of horse serum BChE at 100 uM preincubated for 5 mins by Ellman's method ChEMBL. 20926161
Inhibition (binding) Inhibition of electric eel AChE at 100 uM preincubated for 5 mins by Ellman's method ChEMBL. 20926161
pIC50 (binding) Inhibition of horse serum BChE preincubated for 5 mins by Ellman's method ChEMBL. 20926161

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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