Detailed information for compound 265571

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 281.314 | Formula: C11H19N7O2
  • H donors: 4 H acceptors: 3 LogP: -0.31 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H](CNc1cccnc1)CCC/N=C(\N[N+](=O)[O-])/N
  • InChi: 1S/C11H19N7O2/c12-9(7-16-10-4-2-5-14-8-10)3-1-6-15-11(13)17-18(19)20/h2,4-5,8-9,16H,1,3,6-7,12H2,(H3,13,15,17)/t9-/m0/s1
  • InChiKey: BIAYVIUVFRKNKQ-VIFPVBQESA-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
Onchocerca volvulus 0.0027 0.1043 0.5
Echinococcus granulosus deoxyribonuclease 1 0.0128 0.9413 0.939
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0538 0.4297
Echinococcus granulosus p2X purinoceptor 4 0.0135 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0538 1
Schistosoma mansoni P2X receptor subunit 0.0067 0.4352 0.4136
Loa Loa (eye worm) hypothetical protein 0.0027 0.1043 0.8333
Echinococcus granulosus lamin dm0 0.0027 0.1043 0.0702
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0538 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.1043 0.8333
Echinococcus multilocularis deoxyribonuclease 0.0128 0.9413 0.939
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.003 0.1252 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0538 1
Schistosoma mansoni P2X receptor subunit 0.0135 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.1043 0.8333
Brugia malayi intermediate filament protein 0.0027 0.1043 0.8333
Echinococcus granulosus deoxyribonuclease 1 0.0128 0.9413 0.939
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0538 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0538 0.0177
Schistosoma mansoni lamin 0.0027 0.1043 0.0702
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0538 1
Trypanosoma cruzi arginine N-methyltransferase, putative 0.003 0.1252 1
Echinococcus granulosus deoxyribonuclease 1 0.0128 0.9413 0.939
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0538 0.0177
Trypanosoma cruzi arginine N-methyltransferase, putative 0.003 0.1252 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0538 0.5
Echinococcus multilocularis deoxyribonuclease 1 2 0.0134 0.992 0.9917
Loa Loa (eye worm) intermediate filament protein 0.0027 0.1043 0.8333
Echinococcus granulosus intermediate filament protein 0.0027 0.1043 0.0702
Echinococcus multilocularis lamin dm0 0.0027 0.1043 0.0702
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.003 0.1252 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1002 0.8004
Echinococcus granulosus lamin 0.0027 0.1043 0.0702
Echinococcus multilocularis lamin 0.0027 0.1043 0.0702
Schistosoma mansoni P2X receptor subunit 0.0135 1 1
Brugia malayi hypothetical protein 0.003 0.1252 1
Echinococcus multilocularis p2X purinoceptor 4 0.0135 1 1
Echinococcus multilocularis musashi 0.0027 0.1043 0.0702
Schistosoma mansoni ap endonuclease 0.0021 0.0538 0.0177
Toxoplasma gondii exonuclease III APE 0.0021 0.0538 1
Schistosoma mansoni P2X receptor subunit 0.0067 0.4352 0.4136
Loa Loa (eye worm) hypothetical protein 0.003 0.1252 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0538 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0538 0.4297
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0538 0.5
Echinococcus granulosus p2X purinoceptor 4 0.0135 1 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.1043 0.0702
Schistosoma mansoni lamin 0.0027 0.1043 0.0702
Echinococcus multilocularis deoxyribonuclease 1 2 0.0128 0.9413 0.939
Schistosoma mansoni ap endonuclease 0.0021 0.0538 0.0177
Echinococcus multilocularis p2X purinoceptor 4 0.0135 1 1
Onchocerca volvulus 0.0027 0.1043 0.5
Entamoeba histolytica hypothetical protein 0.003 0.1252 1
Echinococcus multilocularis p2X purinoceptor 4 0.0135 1 1
Echinococcus multilocularis deoxyribonuclease 0.0128 0.9413 0.939
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0538 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0538 1
Schistosoma mansoni deoxyribonuclease 1 related 0.0128 0.9413 0.939

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.55 uM Inhibitory activity against neuronal nitric oxide synthase ChEMBL. 14667223
Ki (binding) = 141 uM Inhibitory activity against Inducible nitric oxide synthase ChEMBL. 14667223
Ki (binding) = 523 uM Inhibitory activity against endothelial nitric oxide synthase (eNOS) ChEMBL. 14667223
Selectivity (binding) = 256 Selectivity for neuronal over Inducible nitric oxide synthase ChEMBL. 14667223
Selectivity (binding) = 951 Selectivity for neuronal over endothelial nitric oxide synthase ChEMBL. 14667223

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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