Detailed information for compound 1062702

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.628 | Formula: C24H40N8
  • H donors: 2 H acceptors: 3 LogP: 4.56 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCNc1nc(NCCN(CC)CC)nc(n1)N1CCCc2c1cccc2)CC
  • InChi: 1S/C24H40N8/c1-5-30(6-2)18-15-25-22-27-23(26-16-19-31(7-3)8-4)29-24(28-22)32-17-11-13-20-12-9-10-14-21(20)32/h9-10,12,14H,5-8,11,13,15-19H2,1-4H3,(H2,25,26,27,28,29)
  • InChiKey: OSHRDZVEWTZTCI-UHFFFAOYSA-N  

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
Brugia malayi DNA polymerase I family protein 0.0111 0.2689 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0188 0.515 1
Trypanosoma brucei RNA helicase, putative 0.0093 0.2119 0.2119
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.1003 0.1003
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0188 0.515 0.515
Loa Loa (eye worm) hypothetical protein 0.0111 0.2689 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0161 0.4281 0.4281
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0084 0.1843 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0188 0.515 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0188 0.515 0.515
Toxoplasma gondii hypothetical protein 0.0055 0.0893 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0188 0.515 0.515
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0188 0.515 0.515
Giardia lamblia Rrm3p helicase 0.0188 0.515 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0027 0.0003 0.0003
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0669 0.0669
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0188 0.515 0.515
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.0003 0.0003
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0669 0.0669
Trypanosoma brucei mitochondrial DNA polymerase beta 0.034 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0161 0.4281 0.4281
Trypanosoma brucei unspecified product 0.0027 0.0003 0.0003
Mycobacterium ulcerans hypothetical protein 0.0179 0.4861 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0669 0.0669
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0188 0.515 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0188 0.515 0.5
Plasmodium vivax DNA polymerase alpha, putative 0.005 0.0736 0.5
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0161 0.4281 0.4281
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.034 1 1
Echinococcus multilocularis hypothetical protein 0.0111 0.2689 0.3911
Schistosoma mansoni hypothetical protein 0.0093 0.2119 0.2502
Entamoeba histolytica hypothetical protein, conserved 0.0188 0.515 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0188 0.515 0.515
Echinococcus granulosus DNA polymerase subunit gamma 0.0111 0.2689 0.3911
Mycobacterium tuberculosis Conserved hypothetical protein 0.0179 0.4861 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0669 0.0669
Schistosoma mansoni DNA polymerase gamma 0.0111 0.2689 0.3911
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0188 0.515 0.515
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.034 1 1
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.0003 0.0003
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0188 0.515 1

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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