Detailed information for compound 1150504

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.379 | Formula: C18H16N9O2+
  • H donors: 2 H acceptors: 5 LogP: 0.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nc2nn(cc2c2n1nc(n2)c1ccco1)C)Nc1ccc[n+](c1)C
  • InChi: 1S/C18H15N9O2/c1-25-7-3-5-11(9-25)19-18(28)22-17-21-14-12(10-26(2)23-14)16-20-15(24-27(16)17)13-6-4-8-29-13/h3-10H,1-2H3,(H-,19,21,22,23,28)/p+1
  • InChiKey: JLPJCDMYSOLSKQ-UHFFFAOYSA-O  


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
Loa Loa (eye worm) hypothetical protein 0.0033 0.4352 0.4352
Schistosoma mansoni ap endonuclease 0.002 0.089 0.0961
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.089 0.089
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0033 0.4352 0.4698
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0033 0.4352 0.4698
Echinococcus multilocularis FTZ F1 alpha 0.0033 0.4352 0.4698
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0033 0.4352 0.4352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.9264 1
Brugia malayi nuclear hormone receptor 0.0033 0.4352 0.4352
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.4352 0.4352
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.3027 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0033 0.4352 0.4352
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0033 0.4352 0.4698
Brugia malayi steroid hormone receptor 0.0033 0.4352 0.4352
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0116 0.0125
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.089 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.089 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.5371 0.5371
Echinococcus granulosus ecdysone induced protein 78C 0.0033 0.4352 0.4698
Schistosoma mansoni thyroid hormone receptor 0.0033 0.4352 0.4698
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.089 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.3027 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.9264 0.9264
Echinococcus multilocularis ecdysone induced protein 78C 0.0033 0.4352 0.4698
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0033 0.4352 0.4698
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.4352 0.4352
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0033 0.4352 0.4698
Loa Loa (eye worm) hypothetical protein 0.0017 0.0116 0.0116
Leishmania major hypothetical protein, conserved 0.0028 0.3027 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.3027 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0033 0.4352 0.4698
Schistosoma mansoni thyroid hormone receptor 0.0033 0.4352 0.4698
Loa Loa (eye worm) hypothetical protein 0.0033 0.4352 0.4352
Loa Loa (eye worm) hypothetical protein 0.0017 0.0116 0.0116
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0033 0.4352 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0033 0.4352 0.4698
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.4352 0.4352
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.089 0.0961
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0033 0.4352 0.4352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.9264 1
Onchocerca volvulus 0.0033 0.4352 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0033 0.4352 0.4698
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0116 0.0116
Brugia malayi nuclear receptor NHR-88 0.0033 0.4352 0.4352
Brugia malayi photoreceptor-specific nuclear receptor 0.0033 0.4352 0.4352
Loa Loa (eye worm) hypothetical protein 0.0028 0.3027 0.3027
Trichomonas vaginalis ap endonuclease, putative 0.002 0.089 0.5
Schistosoma mansoni ap endonuclease 0.002 0.089 0.0961
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.9264 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.089 0.0961
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.4352 0.4698
Schistosoma mansoni steroid hormone receptor ad4bp 0.0033 0.4352 0.4698
Loa Loa (eye worm) hypothetical protein 0.0033 0.4352 0.4352
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0033 0.4352 0.4698
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0033 0.4352 0.4352
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0033 0.4352 0.4698
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.4352 0.4698
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0033 0.4352 0.4698
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.9264 1
Schistosoma mansoni hypothetical protein 0.0036 0.5371 0.5798
Echinococcus granulosus FTZ F1 alpha 0.0033 0.4352 0.4698
Loa Loa (eye worm) hypothetical protein 0.0033 0.4352 0.4352
Loa Loa (eye worm) steroid hormone receptor 0.0033 0.4352 0.4352
Schistosoma mansoni nuclear hormone receptor 0.0033 0.4352 0.4698
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0033 0.4352 0.4698
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0033 0.4352 0.4698
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0033 0.4352 0.4698
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0033 0.4352 0.4352
Brugia malayi nuclear receptor RXR 0.0017 0.0116 0.0116
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.089 0.5
Brugia malayi hypothetical protein 0.0018 0.0314 0.0314
Loa Loa (eye worm) hypothetical protein 0.0033 0.4352 0.4352
Onchocerca volvulus Bile acid receptor homolog 0.0033 0.4352 0.5
Brugia malayi hypothetical protein 0.0017 0.0116 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0033 0.4352 0.4352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.9264 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0033 0.4352 0.4698
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.5371 0.5371
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.3027 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0116 0.0125
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0033 0.4352 0.4352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.9264 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0033 0.4352 0.4352
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.089 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.9264 1
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0116 0.0116
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.089 0.089
Loa Loa (eye worm) hypothetical protein 0.0017 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0033 0.4352 0.4352
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0033 0.4352 0.4352
Trichomonas vaginalis ap endonuclease, putative 0.002 0.089 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0033 0.4352 0.4352
Brugia malayi Nuclear hormone receptor-like 1 0.0033 0.4352 0.4352
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0033 0.4352 0.4698
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0033 0.4352 0.4352
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.089 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0033 0.4352 0.4352
Brugia malayi Steroid receptor seven-up type 2 0.0033 0.4352 0.4352
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0033 0.4352 0.4352
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.3027 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.3027 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.9264 0.9264
Onchocerca volvulus Protein ultraspiracle homolog 0.0033 0.4352 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0033 0.4352 0.4698
Schistosoma mansoni retinoic acid receptor RXR 0.0033 0.4352 0.4698
Brugia malayi hypothetical protein 0.0028 0.3027 0.3027
Schistosoma mansoni RAR-like nuclear receptor 0.0033 0.4352 0.4698
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0033 0.4352 0.4352
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.4352 0.4352
Brugia malayi hypothetical protein 0.0017 0.0116 0.0116
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0116 0.0125
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0033 0.4352 0.4352
Loa Loa (eye worm) hypothetical protein 0.0017 0.0116 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0033 0.4352 0.4352
Schistosoma mansoni coup transcription factor 0.0033 0.4352 0.4698
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0116 0.0125
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0033 0.4352 0.4352
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.3027 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0033 0.4352 0.4352
Brugia malayi ecdysteroid receptor 0.0033 0.4352 0.4352
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0033 0.4352 0.4698
Loa Loa (eye worm) hypothetical protein 0.0053 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0116 0.0116

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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