Detailed information for compound 433085

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.406 | Formula: C21H20N4O8
  • H donors: 0 H acceptors: 7 LogP: 4.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1noc(c1)CCCOc1c(C)cc(cc1C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])[N+](=O)[O-]
  • InChi: 1S/C21H20N4O8/c1-12-7-15(8-13(2)21(12)32-6-4-5-17-9-14(3)22-33-17)16-10-18(23(26)27)20(25(30)31)19(11-16)24(28)29/h7-11H,4-6H2,1-3H3
  • InChiKey: YAQBDIPEZHUUNZ-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 phosphatidylinositol 3-and 4-kinase 0.052 0.0404 0.2863
Schistosoma mansoni peroxidasin 0.0472 0.0303 0.1364
Loa Loa (eye worm) animal heme peroxidase 0.0472 0.0303 0.7506
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0749 0.0884 0.0687
Onchocerca volvulus Peroxidase homolog 0.0472 0.0303 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.052 0.0404 0.1327
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Onchocerca volvulus Chorion peroxidase homolog 0.0472 0.0303 0.5
Echinococcus multilocularis peroxidasin 0.0472 0.0303 0.0094
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0749 0.0884 0.0687
Loa Loa (eye worm) phosphatidylinositol 3 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Toxoplasma gondii target of rapamycin (TOR), putative 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Brugia malayi hypothetical protein 0.0472 0.0303 0.4766
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.052 0.0404 1
Schistosoma mansoni peroxidasin 0.0472 0.0303 0.1364
Brugia malayi Animal haem peroxidase family protein 0.0472 0.0303 0.4766
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Onchocerca volvulus Peroxidasin homolog 0.0472 0.0303 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Toxoplasma gondii FATC domain-containing protein 0.0428 0.0212 0.5235
Brugia malayi Peroxidasin 0.0472 0.0303 0.4766
Loa Loa (eye worm) phosphatidylinositol 3 0.052 0.0404 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.052 0.0404 0.1327
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.052 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.052 0.0404 0.0197
Onchocerca volvulus Dual oxidase homolog 0.0472 0.0303 0.5
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0546 0.0459 0.3682
Onchocerca volvulus 0.0472 0.0303 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.1775 0.303 1
Onchocerca volvulus Peroxidasin homolog 0.0472 0.0303 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.052 0.0404 0.1327
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.5106 1 1
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Onchocerca volvulus Peroxidase homolog 0.0472 0.0303 0.5
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.052 0.0404 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.052 0.0404 0.0197
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Onchocerca volvulus 0.0472 0.0303 0.5
Leishmania major hypothetical protein, conserved 0.1875 0.3239 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.052 0.0404 0.0197
Loa Loa (eye worm) animal heme peroxidase 0.0472 0.0303 0.7506
Onchocerca volvulus 0.0472 0.0303 0.5
Schistosoma mansoni lipoxygenase 0.0749 0.0884 1
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.052 0.0404 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.052 0.0404 0.1327
Trypanosoma cruzi target of rapamycin kinase 3 0.052 0.0404 0.1327
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Loa Loa (eye worm) blistered cuticle protein 3 0.0472 0.0303 0.7506
Brugia malayi Animal haem peroxidase family protein 0.0472 0.0303 0.4766
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0328 0.0002 0.0057
Brugia malayi Animal haem peroxidase family protein 0.0472 0.0303 0.4766
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0428 0.0212 0.0691
Giardia lamblia GTOR 0.052 0.0404 0.5
Brugia malayi Animal haem peroxidase family protein 0.0472 0.0303 0.4766
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Brugia malayi Animal haem peroxidase family protein 0.0472 0.0303 0.4766
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0428 0.0212 0.5235
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Loa Loa (eye worm) animal heme peroxidase 0.0472 0.0303 0.7506
Brugia malayi Blistered cuticle protein 3 0.0472 0.0303 0.4766
Trichomonas vaginalis PIKK family atypical protein kinase 0.0428 0.0212 0.5235
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.052 0.0404 0.2863
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.052 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Loa Loa (eye worm) hypothetical protein 0.0472 0.0303 0.7506
Schistosoma mansoni lipoxygenase 0.0524 0.0412 0.2987
Echinococcus granulosus peroxidasin 0.0472 0.0303 0.0094
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.052 0.0404 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.052 0.0404 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.052 0.0404 0.0197
Loa Loa (eye worm) animal heme peroxidase 0.0472 0.0303 0.7506

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.
 
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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