Detailed information for compound 1807863

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.369 | Formula: C20H18N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1/C=C\1/N=C(N(C1=O)c1ccc(cc1)C(=O)C)C
  • InChi: 1S/C20H18N2O3/c1-13(23)15-8-10-17(11-9-15)22-14(2)21-18(20(22)24)12-16-6-4-5-7-19(16)25-3/h4-12H,1-3H3/b18-12+
  • InChiKey: NJOJTDBEQNZKRD-LDADJPATSA-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 rotamase 0.0032 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.1946 0.1946
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.014 0.014
Brugia malayi nuclear receptor RXR 0.0005 0.014 0.014
Brugia malayi steroid hormone receptor 0.001 0.1946 0.1946
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.7382 0.7382
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.1946 0.1946
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.1946 0.1946
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.1946 0.1946
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.1946 0.1946
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.7382 0.7594
Loa Loa (eye worm) hypothetical protein 0.001 0.1946 0.1946
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.1946 0.1946
Schistosoma mansoni thyroid hormone receptor 0.001 0.1946 0.1946
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0005 0.014 0.014
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.1946 0.1946
Loa Loa (eye worm) hypothetical protein 0.0005 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0005 0.014 0.014
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.1946 0.1946
Schistosoma mansoni coup transcription factor 0.001 0.1946 0.1946
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.1946 0.1946
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.972 1
Loa Loa (eye worm) hypothetical protein 0.001 0.1946 0.1946
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.1946 0.1946
Trichomonas vaginalis rotamase, putative 0.0032 0.972 0.972
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.972 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.1946 0.1946
Loa Loa (eye worm) hypothetical protein 0.001 0.1946 0.1946
Brugia malayi ecdysteroid receptor 0.001 0.1946 0.1946
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.1946 0.1946
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.1946 0.1946
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.972 1
Schistosoma mansoni flap endonuclease-1 0.0023 0.6492 0.6492
Schistosoma mansoni thyroid hormone receptor 0.001 0.1946 0.1946
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.1946 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.1946 0.1946
Brugia malayi nuclear hormone receptor 0.001 0.1946 0.1946
Echinococcus granulosus expressed protein 0.0032 1 1
Brugia malayi Steroid receptor seven-up type 2 0.001 0.1946 0.1946
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.001 0.1946 0.1946
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.1946 0.1946
Entamoeba histolytica Flap nuclease, putative 0.0025 0.7382 0.7594
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.1946 0.1946
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.1946 0.1946
Brugia malayi hypothetical protein 0.0005 0.014 0.014
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.1946 0.1946
Brugia malayi Flap endonuclease-1 0.0025 0.7382 0.7382
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.1946 0.1946
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.1946 0.1946
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.001 0.173 0.178
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.1946 0.1946
Echinococcus multilocularis expressed protein 0.0032 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.1946 0.1946
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.1946 0.1946
Echinococcus multilocularis FTZ F1 alpha 0.001 0.1946 0.1946
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.1946 0.1946
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.1946 0.1946
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.1946 0.1946
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.014 0.014
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.001 0.173 0.5
Echinococcus granulosus flap endonuclease 1 0.0025 0.7382 0.7382
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.7382 0.7594
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.001 0.173 0.178
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.7382 0.7382
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.1946 0.1946
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.1946 0.1946
Loa Loa (eye worm) hypothetical protein 0.0005 0.014 0.014
Brugia malayi hypothetical protein 0.0005 0.014 0.014
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.1946 0.1946
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.1946 0.1946
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.1946 0.1946
Loa Loa (eye worm) hypothetical protein 0.001 0.1946 0.1946
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.1946 0.1946
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.972 1
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.1946 0.1946
Loa Loa (eye worm) hypothetical protein 0.001 0.1946 0.1946
Echinococcus multilocularis flap endonuclease 1 0.0025 0.7382 0.7382
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.1946 0.1946
Echinococcus granulosus FTZ F1 alpha 0.001 0.1946 0.1946
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.7382 0.7594
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0032 1 1
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.7382 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 1 1
Plasmodium falciparum flap endonuclease 1 0.0025 0.7382 1
Onchocerca volvulus 0.001 0.1946 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.014 0.014
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.1946 0.1946
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.1946 0.1946
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.1946 0.1946
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.001 0.173 0.178
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.1946 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.1946 0.1946
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.014 0.014
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.1946 0.1946
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.972 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.001 0.173 0.178
Loa Loa (eye worm) hypothetical protein 0.001 0.1946 0.1946
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.014 0.014
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.1946 0.1946
Brugia malayi nuclear receptor NHR-88 0.001 0.1946 0.1946
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.1946 0.1946
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.1946 0.1946
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.7382 1
Loa Loa (eye worm) hypothetical protein 0.001 0.1946 0.1946
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.1946 0.1946
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.7382 0.7594
Loa Loa (eye worm) steroid hormone receptor 0.001 0.1946 0.1946
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.1946 0.1946
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.1946 0.1946
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.001 0.173 0.178
Onchocerca volvulus Bile acid receptor homolog 0.001 0.1946 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.1946 0.1946
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.972 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.1946 0.1946
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.1946 0.1946
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.014 0.014
Trichomonas vaginalis rotamase, putative 0.0032 1 1

Activities

Activity type Activity value Assay description Source Reference
GI (functional) Antibacterial activity against Escherichia coli MTCC 443 assessed as growth inhibition at 12.5 to 1000 ug/mL after 24 hr by NCCLS broth dilution method ChEMBL. No reference
GI (functional) Antifungal activity against Candida albicans MTCC 227 assessed as growth inhibition at 12.5 to 1000 ug/mL after 48 hr by broth dilution method ChEMBL. No reference

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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