Detailed information for compound 648526

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.418 | Formula: C19H24N4O5
  • H donors: 3 H acceptors: 4 LogP: 3.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1O)C=NNC(=O)NC12CC3CC(C2)CC(C1)C3)[N+](=O)[O-]
  • InChi: 1S/C19H24N4O5/c1-28-16-6-15(23(26)27)5-14(17(16)24)10-20-22-18(25)21-19-7-11-2-12(8-19)4-13(3-11)9-19/h5-6,10-13,24H,2-4,7-9H2,1H3,(H2,21,22,25)/b20-10+
  • InChiKey: OHSUHRNXRVKYHC-KEBDBYFISA-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
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2721 0.5862
Leishmania major DNA polymerase eta, putative 0.002 0.2721 0.1042
Loa Loa (eye worm) hypothetical protein 0.002 0.2721 0.0206
Entamoeba histolytica hypothetical protein 0.0035 0.7164 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.2721 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.2721 0.1042
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.4037 1
Echinococcus multilocularis dna polymerase eta 0.002 0.2721 0.2721
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 1 1
Giardia lamblia DINP protein human, muc B family 0.002 0.2721 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2721 0.5862
Schistosoma mansoni hypothetical protein 0.0035 0.7164 0.7164
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.2568 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.2721 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.2721 0.0333
Echinococcus granulosus dna polymerase kappa 0.002 0.2721 0.2721
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.4037 0.1976
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.2721 0.0206
Leishmania major DNA polymerase kappa, putative 0.002 0.2721 0.1042
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.2568 0.1316
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.2721 0.2721
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2721 0.5862
Echinococcus multilocularis dna polymerase kappa 0.002 0.2721 0.2721
Entamoeba histolytica hypothetical protein 0.0035 0.7164 1
Echinococcus granulosus dna polymerase eta 0.002 0.2721 0.2721
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2721 0.5862
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.4037 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.2721 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.2568 0.2568
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.4037 1
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.4037 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.4037 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.2721 0.5862
Entamoeba histolytica hypothetical protein 0.0035 0.7164 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.2721 0.5862
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.2721 0.1495
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.2568 0.2568
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.2721 0.5862
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.2721 0.1042
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.2721 0.1042
Brugia malayi hypothetical protein 0.0035 0.7164 0.6687
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.4037 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 1 1
Leishmania major hypothetical protein, conserved 0.0024 0.4037 1
Brugia malayi hypothetical protein 0.0024 0.4037 0.3031
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.2568 0.5381
Mycobacterium ulcerans DNA polymerase IV 0.002 0.2721 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2721 0.5862
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.7164 0.7164
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2721 0.5862
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.2721 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.7164 0.7164
Trypanosoma brucei unspecified product 0.002 0.2721 0.5862
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.2721 0.1042
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.2721 0.2721
Entamoeba histolytica hypothetical protein 0.0035 0.7164 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.2721 0.2721
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.2721 0.1495
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2721 0.5862
Schistosoma mansoni DNA polymerase eta 0.002 0.2721 0.2721
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.4037 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2721 0.5862
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.2721 1
Schistosoma mansoni ap endonuclease 0.0019 0.2568 0.2568
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.2721 0.1042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.2721 0.5862
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2721 0.5862
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.2568 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.2721 0.2721
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.2721 0.1042
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.7164 0.7164
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.2721 0.5862
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.2568 0.2568

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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