Detailed information for compound 1526440

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 796.803 | Formula: C64H14N+
  • H donors: 0 H acceptors: 0 LogP: 13.24 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 2
  • SMILES: C[N+]1(C)CC23C4(C1)c1c5c6c2c2c7c3c3c8c4c4c1c1c9c5c5c6c6c2c2c%10c7c7c3c3c8c8c4c4c1c1C9C9c5c5c6c2c2c6c%10c7c7c3c3c8c4c4c1c1c9c5c2c2c6c7C3C4c12
  • InChi: 1S/C64H14N/c1-65(2)3-63-59-51-43-33-23-15-7-5-6-9-13-11(7)19-27-21(13)31-25-17(9)18-10(6)14-12-8(5)16(15)24-30-20(12)28-22(14)32-26(18)36-35(25)45-39(31)49-41(27)47(37(43)29(19)23)55(59)57(49)61-53(45)54-46(36)40(32)50-42(28)48-38(30)44(34(24)33)52(51)60(63)56(48)58(50)62(54)64(61,63)4-65/h7,11,20,30H,3-4H2,1-2H3/q+1
  • InChiKey: RBQIUJLLUISZIU-UHFFFAOYSA-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
Loa Loa (eye worm) hypothetical protein 0.0021 0.223 1
Schistosoma mansoni polycystin 1-related 0.002 0.2091 0.2091
Echinococcus granulosus RUN 0.002 0.2091 0.2063
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0085 0.0381
Echinococcus multilocularis bloom syndrome protein 0.0021 0.223 0.2202
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0035 0.0035
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0035 0.0035
Giardia lamblia Rrm3p helicase 0.0057 1 1
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.2091 0.2063
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0011 0.0085 0.0226
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.2091 0.2063
Loa Loa (eye worm) hypothetical protein 0.002 0.2091 0.9368
Schistosoma mansoni coup transcription factor 0.001 0.0035 0.0035
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0057 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0057 1 1
Treponema pallidum ATP-dependent DNA helicase 0.0011 0.0085 0.5
Entamoeba histolytica DNA repair and recombination protein, putative 0.0057 1 1
Entamoeba histolytica recQ family helicase, putative 0.0021 0.223 0.223
Schistosoma mansoni lipoxygenase 0.002 0.2091 0.2091
Brugia malayi Doublecortin family protein 0.002 0.2091 0.9368
Schistosoma mansoni thyroid hormone receptor 0.001 0.0035 0.0035
Schistosoma mansoni lipoxygenase 0.0056 0.9717 0.9717
Loa Loa (eye worm) hypothetical protein 0.002 0.2091 0.9368
Brugia malayi hypothetical protein 0.002 0.2091 0.9368
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.223 1
Onchocerca volvulus 0.002 0.2091 1
Echinococcus granulosus bloom syndrome protein 0.0021 0.223 0.2202
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0085 0.0085
Loa Loa (eye worm) doublecortin family protein 0.002 0.2091 0.9368
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0035 0.0035
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0057 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0035 0.0035
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.223 0.2202
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.2091 0.2063
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0057 1 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0035 0.0035
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.223 1
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0057 1 1
Schistosoma mansoni loxhd1 0.002 0.2091 0.2091
Schistosoma mansoni hypothetical protein 0.0057 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.9717 0.9716
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.223 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.223 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0085 0.0226
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0057 1 1
Schistosoma mansoni hypothetical protein 0.002 0.2091 0.2091
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0057 1 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.223 0.2163
Schistosoma mansoni DNA helicase recq5 0.0021 0.223 0.223
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.2091 0.2063
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.2091 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.223 0.2202
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0057 1 1
Brugia malayi hypothetical protein 0.002 0.2091 0.9368
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0035 0.0035
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.2091 0.2063
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0057 1 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.223 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.9717 0.9716
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0085 0.0085
Schistosoma mansoni rab6-interacting 0.002 0.2091 0.2091
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0035 0.0035
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0035 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0057 1 1
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.223 1
Schistosoma mansoni DNA helicase recq1 0.0021 0.223 0.223
Echinococcus multilocularis RUN 0.002 0.2091 0.2063
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.2091 0.2063
Schistosoma mansoni rab6-interacting 0.002 0.2091 0.2091
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0085 0.0406
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.223 1
Loa Loa (eye worm) RecQ helicase 0.0021 0.223 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.223 0.2202
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0035 0.0035
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.223 1
Onchocerca volvulus 0.002 0.2091 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0035 0.0035
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0021 0.223 0.2202

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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