Detailed information for compound 172576

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 284.249 | Formula: C10H14N5O5+
  • H donors: 3 H acceptors: 3 LogP: 0.37 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=[NH2+])N/N=C/c1c(OC)ccc(c1[N+](=O)[O-])OC
  • InChi: 1S/C10H13N5O5/c1-19-7-3-4-8(20-2)9(15(17)18)6(7)5-12-13-10(11)14-16/h3-5,16H,1-2H3,(H3,11,13,14)/p+1/b12-5+
  • InChiKey: XDBVSQHUPVQGND-LFYBBSHMSA-O  

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
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0874 1 1
Schistosoma mansoni hypothetical protein 0.0874 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0748 0.8453 0.8285
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0311 0.3115 0.2366
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0311 0.3115 0.2438
Trypanosoma cruzi hypothetical protein, conserved 0.0311 0.3115 0.8719
Echinococcus multilocularis zinc finger protein Ran binding 0.0311 0.3115 0.2366
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0311 0.3115 0.8719
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.2172 1
Leishmania major mitochondrial DNA polymerase beta 0.0348 0.3567 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0874 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0748 0.8453 0.8285
Trypanosoma cruzi hypothetical protein, conserved 0.0311 0.3115 0.8719
Trypanosoma brucei hypothetical protein, conserved 0.0311 0.3115 0.7984
Trypanosoma cruzi WLM domain containing protein, putative 0.0311 0.3115 0.8719
Schistosoma mansoni fusion 0.0311 0.3115 0.2366
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0311 0.3115 0.2438
Loa Loa (eye worm) brahma associated protein 0.0874 1 1
Plasmodium vivax hypothetical protein, conserved 0.0874 1 0.5
Brugia malayi YY1-associated factor 2 0.0311 0.3115 0.2438
Mycobacterium ulcerans hypothetical protein 0.0183 0.1554 0.5
Brugia malayi brahma associated protein 60 kDa 0.0874 1 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.3115 0.2438
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0311 0.3115 0.2438
Echinococcus granulosus tumor protein p63 0.0351 0.3605 0.291
Echinococcus multilocularis SWI:SNF matrix associated 0.0874 1 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0311 0.3115 0.7984
Leishmania major hypothetical protein, conserved 0.0311 0.3115 0.7984
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0311 0.3115 0.2366
Echinococcus granulosus microtubule associated protein 2 0.0748 0.8453 0.8285
Loa Loa (eye worm) hypothetical protein 0.0311 0.3115 0.2438
Schistosoma mansoni hypothetical protein 0.0874 1 1
Leishmania major hypothetical protein, conserved 0.0311 0.3115 0.7984
Schistosoma mansoni hypothetical protein 0.0874 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0165 0.1327 0.3643
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0311 0.3115 0.8719
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0311 0.3115 0.3115
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0311 0.3115 0.2438
Chlamydia trachomatis DNA topoisomerase I 0.0874 1 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0311 0.3115 0.8719
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0874 1 1
Schistosoma mansoni brg-1 associated factor 0.0874 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0874 1 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0874 1 1
Onchocerca volvulus 0.0874 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0311 0.3115 0.8719
Loa Loa (eye worm) hypothetical protein 0.0311 0.3115 0.2438
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0348 0.3567 1
Leishmania major hypothetical protein, conserved 0.0311 0.3115 0.7984
Toxoplasma gondii ran binding protein 0.0311 0.3115 0.3115
Echinococcus multilocularis thyroid hormone receptor alpha 0.0147 0.1115 0.0148
Loa Loa (eye worm) hypothetical protein 0.0311 0.3115 0.2438
Schistosoma mansoni hypothetical protein 0.0311 0.3115 0.2366
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0311 0.3115 0.8719
Loa Loa (eye worm) hypothetical protein 0.0311 0.3115 0.2438
Echinococcus multilocularis tumor protein p63 0.0351 0.3605 0.291
Schistosoma mansoni thyroid hormone receptor 0.0147 0.1115 0.0148
Echinococcus multilocularis SWI:SNF matrix associated 0.0874 1 1
Echinococcus granulosus zinc finger protein Ran binding 0.0311 0.3115 0.2366
Leishmania major hypothetical protein, conserved 0.0311 0.3115 0.7984
Trypanosoma brucei hypothetical protein, conserved 0.0311 0.3115 0.7984
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0311 0.3115 0.7984
Echinococcus granulosus Zinc finger RanBP2 type 0.0311 0.3115 0.2366
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0311 0.3115 0.2366
Schistosoma mansoni RNA binding protein 0.0311 0.3115 0.2366
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0348 0.3567 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0311 0.3115 0.8719
Schistosoma mansoni thyroid hormone receptor 0.0147 0.1115 0.0148
Leishmania major hypothetical protein, conserved 0.0311 0.3115 0.7984
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0874 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0874 1 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0874 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0874 1 0.5
Echinococcus multilocularis ring and YY1 binding protein 0.0311 0.3115 0.2366
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0874 1 1
Schistosoma mansoni TRABID protein (C64 family) 0.0311 0.3115 0.2366
Echinococcus granulosus ring and YY1 binding protein 0.0311 0.3115 0.2366
Schistosoma mansoni zinc finger protein 0.0311 0.3115 0.2366
Trypanosoma cruzi hypothetical protein, conserved 0.0311 0.3115 0.8719
Brugia malayi SWIB/MDM2 domain containing protein 0.0874 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0348 0.3567 1
Chlamydia trachomatis SWIB complex protein 0.0874 1 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0874 1 1

Activities

Activity type Activity value Assay description Source Reference
Acceptor activity (binding) = 47.3 Electron acceptor activity on bovine milk xanthine oxidase using xanthine as reducing substrate ChEMBL. 15163191

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

1 literature reference was collected for this gene.

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