Detailed information for compound 1728837

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.348 | Formula: C18H18N2O
  • H donors: 0 H acceptors: 1 LogP: 3.87 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(Oc2cccc(c2)Cn2cncc2)cc(c1)C
  • InChi: 1S/C18H18N2O/c1-14-8-15(2)10-18(9-14)21-17-5-3-4-16(11-17)12-20-7-6-19-13-20/h3-11,13H,12H2,1-2H3
  • InChiKey: MHJIURMQZKJPSF-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
Schistosoma mansoni serine/threonine protein kinase 0.00781727 1 1
Brugia malayi nuclear receptor NHR-88 0.0039059 0.320217 0.320217
Trichomonas vaginalis AGC family protein kinase 0.00781727 1 0.5
Trichomonas vaginalis AGC family protein kinase 0.00781727 1 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0039059 0.320217 0.320217
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0039059 0.320217 0.320217
Echinococcus granulosus ecdysone induced protein 78C 0.0039059 0.320217 0.320217
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0039059 0.320217 0.320217
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0039059 0.320217 0.320217
Loa Loa (eye worm) hypothetical protein 0.0039059 0.320217 0.320217
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0039059 0.320217 0.320217
Loa Loa (eye worm) hypothetical protein 0.0039059 0.320217 0.320217
Entamoeba histolytica protein kinase, putative 0.00781727 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039059 0.320217 0.320217
Onchocerca volvulus Protein ultraspiracle homolog 0.0039059 0.320217 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0039059 0.320217 0.320217
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0039059 0.320217 0.320217
Onchocerca volvulus Bile acid receptor homolog 0.0039059 0.320217 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0039059 0.320217 0.320217
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0039059 0.320217 0.320217
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0039059 0.320217 0.320217
Brugia malayi ecdysteroid receptor 0.0039059 0.320217 0.320217
Loa Loa (eye worm) hypothetical protein 0.0039059 0.320217 0.320217
Brugia malayi nuclear hormone receptor 0.0039059 0.320217 0.320217
Schistosoma mansoni nuclear hormone receptor 0.0039059 0.320217 0.320217
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0039059 0.320217 0.320217
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0039059 0.320217 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0039059 0.320217 0.320217
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039059 0.320217 0.320217
Loa Loa (eye worm) hypothetical protein 0.0039059 0.320217 0.320217
Brugia malayi phosphoinositide-dependent protein kinase I 0.00781727 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0039059 0.320217 0.320217
Brugia malayi Protein kinase domain containing protein 0.00781727 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0039059 0.320217 0.320217
Onchocerca volvulus 0.0039059 0.320217 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0039059 0.320217 0.320217
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039059 0.320217 0.320217
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0039059 0.320217 0.320217
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0039059 0.320217 0.320217
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039059 0.320217 0.320217
Schistosoma mansoni thyroid hormone receptor 0.0039059 0.320217 0.320217
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0039059 0.320217 0.320217
Loa Loa (eye worm) hypothetical protein 0.0039059 0.320217 0.320217
Trichomonas vaginalis AGC family protein kinase 0.00781727 1 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0039059 0.320217 0.320217
Schistosoma mansoni retinoic acid receptor RXR 0.0039059 0.320217 0.320217
Schistosoma mansoni thyroid hormone receptor 0.0039059 0.320217 0.320217
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0039059 0.320217 0.320217
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0039059 0.320217 0.320217
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.00781727 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0039059 0.320217 0.320217
Loa Loa (eye worm) hypothetical protein 0.0039059 0.320217 0.320217
Schistosoma mansoni coup transcription factor 0.0039059 0.320217 0.320217
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0039059 0.320217 0.320217
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0039059 0.320217 0.320217
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.00781727 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0039059 0.320217 0.320217
Brugia malayi photoreceptor-specific nuclear receptor 0.0039059 0.320217 0.320217
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039059 0.320217 0.320217
Brugia malayi Nuclear hormone receptor-like 1 0.0039059 0.320217 0.320217
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0039059 0.320217 0.320217
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0039059 0.320217 0.320217
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.00781727 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0039059 0.320217 0.320217
Brugia malayi Steroid receptor seven-up type 2 0.0039059 0.320217 0.320217
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0039059 0.320217 0.320217
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0039059 0.320217 0.320217
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0039059 0.320217 0.320217
Loa Loa (eye worm) steroid hormone receptor 0.0039059 0.320217 0.320217
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0039059 0.320217 0.320217
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0039059 0.320217 0.320217
Schistosoma mansoni steroid hormone receptor ad4bp 0.0039059 0.320217 0.320217
Echinococcus granulosus FTZ F1 alpha 0.0039059 0.320217 0.320217
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.00781727 1 1
Loa Loa (eye worm) hypothetical protein 0.0039059 0.320217 0.320217
Brugia malayi steroid hormone receptor 0.0039059 0.320217 0.320217
Echinococcus multilocularis thyroid hormone receptor alpha 0.0039059 0.320217 0.320217
Loa Loa (eye worm) hypothetical protein 0.0039059 0.320217 0.320217
Schistosoma mansoni RAR-like nuclear receptor 0.0039059 0.320217 0.320217
Echinococcus multilocularis ecdysone induced protein 78C 0.0039059 0.320217 0.320217
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0039059 0.320217 0.320217
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0039059 0.320217 0.320217

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.33 uM Antitrypanosomal activity against Trypanosoma cruzi trypomastigote infected in monkey LLC-MK2 cells after 96 hrs by luciferase reporter gene assay ChEMBL. 23448316
EC50 (ADMET) > 100 uM Cytotoxicity against mouse NIH/3T3 cells ChEMBL. 23448316

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma cruzi ChEMBL23 23448316

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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