Detailed information for compound 1799504

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.648 | Formula: C30H38N4O2++
  • H donors: 2 H acceptors: 0 LogP: 6.11 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c1NCCCCCNc3cc[n+](CCCCC[n+]2cc1)c1ccc(cc31)OC
  • InChi: 1S/C30H36N4O2/c1-35-23-9-11-29-25(21-23)27-13-19-33(29)17-7-4-8-18-34-20-14-28(32-16-6-3-5-15-31-27)26-22-24(36-2)10-12-30(26)34/h9-14,19-22H,3-8,15-18H2,1-2H3/p+2/b31-27+,32-28+
  • InChiKey: YTBSNQWJQCJOGM-WWQQVGJXSA-P  

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 cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.1601 0.1601
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0 0.5
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0366 1 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0366 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.0346 0.9408 0.9408
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0077 0.1601 0.1601
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0128 0.3081 0.3081
Leishmania major developmentally regulated phosphoprotein-like protein 0.0366 1 1
Echinococcus granulosus transcription factor Dp 1 0.0045 0.0658 0.0658
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0 0.5
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0128 0.3081 0.3081
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0022 0 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.0366 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0077 0.1601 0.1601
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0148 0.3673 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0366 1 1
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0128 0.3081 0.8389
Loa Loa (eye worm) hypothetical protein 0.0366 1 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0077 0.1601 0.1601
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0 0.5
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0077 0.1601 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.0346 0.9408 0.9408
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0077 0.1601 0.1601
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0 0.5
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.1601 0.1601
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0077 0.1601 0.1601
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.1601 0.1601
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0077 0.1601 0.1601
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0128 0.3081 0.3081
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0366 1 1
Trypanosoma brucei developmentally regulated phosphoprotein 0.0366 1 1
Echinococcus multilocularis transcription factor Dp 1 0.0045 0.0658 0.0658

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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