Detailed information for compound 920456

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 270.24 | Formula: C14H10N2O4
  • H donors: 0 H acceptors: 3 LogP: 2.34 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1cccc(c1)OCc1ccc2c(c1)[n+]([O-])on2
  • InChi: 1S/C14H10N2O4/c17-8-10-2-1-3-12(6-10)19-9-11-4-5-13-14(7-11)16(18)20-15-13/h1-8H,9H2
  • InChiKey: WGHJLRMUHZIXGD-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 ecdysone induced protein 78C 0.0011 0.0211 0.0365
Loa Loa (eye worm) hypothetical protein 0.0011 0.0211 0.0211
Brugia malayi nuclear receptor NHR-88 0.0011 0.0211 0.0211
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0211 0.0395
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0211 0.0365
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0211 0.0211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1735 0.3005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1735 0.3005
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0211 0.0211
Schistosoma mansoni thyroid hormone receptor 0.0148 0.5774 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0211 0.0211
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0137 0.5328 0.9226
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0253 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0211 0.0395
Loa Loa (eye worm) hypothetical protein 0.0011 0.0211 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0211 0.0211
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0211 0.0395
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0211 0.0211
Schistosoma mansoni thyroid hormone receptor 0.0148 0.5774 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0211 0.0211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0211 0.0211
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0211 0.0211
Brugia malayi steroid hormone receptor 0.0011 0.0211 0.0211
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0211 0.0365
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0137 0.5328 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0211 0.0211
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1735 0.1735
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0211 0.0365
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0011 0.0211 0.0211
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1735 0.3257
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0011 0.0211 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0211 0.0211
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0211 0.0365
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0211 0.0365
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0211 0.0211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1735 0.3005
Loa Loa (eye worm) hypothetical protein 0.0011 0.0211 0.0211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0211 0.0211
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0211 0.0395
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0211 0.0395
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0211 0.0365
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1735 0.3005
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0211 0.0365
Onchocerca volvulus 0.0011 0.0211 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0211 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0211 0.0211
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0211 0.0211
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0211 0.0395
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0211 0.0395
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0211 0.0365
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0211 0.0365
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0211 0.0365
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0211 0.0365
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0211 0.0395
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0211 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0211 0.0365
Schistosoma mansoni coup transcription factor 0.0011 0.0211 0.0365
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0211 0.0365
Brugia malayi nuclear hormone receptor 0.0011 0.0211 0.0211
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0211 0.0211
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.5774 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1735 0.3257
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0211 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1735 0.3005
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0211 0.0211
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0211 0.0365
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0211 0.0365
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0211 0.0211
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1735 0.1735
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0211 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0211 0.0211
Brugia malayi ecdysteroid receptor 0.0011 0.0211 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0211 0.0211
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0211 0.0211
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0211 0.5
Schistosoma mansoni hypothetical protein 0.0137 0.5328 0.9226
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0211 0.0365
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0211 0.0395
Loa Loa (eye worm) hypothetical protein 0.0011 0.0211 0.0211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0211 0.0211
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0211 0.0365
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0211 0.0211

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 28 uM Antitrypanosomal activity against epimastigotes of Trypanosoma cruzi Tulahuen 2 assessed as parasite growth inhibition after 5 days ChEMBL. No reference
ID50 (binding) = 100 uM Inhibition of Trypanosoma cruzi Cruzipain using Z-Phe-Arg-AMC as substrate measured for 10 mins by spectrofluorimetric analysis relative to control ChEMBL. No reference
Inhibition (binding) = 43 % Inhibition of Trypanosoma cruzi Cruzipain using Z-Phe-Arg-AMC as substrate at 100 uM at pH 7.3 measured for 10 mins by spectrofluorimetric analysis relative to control 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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