Detailed information for compound 809334

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.924 | Formula: C23H27ClN2O4
  • H donors: 1 H acceptors: 1 LogP: 3.64 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CCN1C(CCNCc2cc3OCOc3cc2Cl)CCC1=O
  • InChi: 1S/C23H27ClN2O4/c1-28-19-4-2-3-16(11-19)8-10-26-18(5-6-23(26)27)7-9-25-14-17-12-21-22(13-20(17)24)30-15-29-21/h2-4,11-13,18,25H,5-10,14-15H2,1H3
  • InChiKey: WPLFTUWTVKYAGJ-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 MH2 domain containing protein 0.0258 0.0824 0.4535
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.2605 1 0.5
Echinococcus granulosus geminin 0.02 0.06 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0167 0.0468 0.2518
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0177 0.6899
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.0177 0.2685
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.012 0.1693
Loa Loa (eye worm) hypothetical protein 0.0114 0.0262 0.1353
Schistosoma mansoni hypothetical protein 0.0053 0.0023 0.0377
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0109 0.0244 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0468 0.2518
Schistosoma mansoni hypothetical protein 0.0053 0.0023 0.0377
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.2605 1 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0258 0.0824 0.4535
Loa Loa (eye worm) hypothetical protein 0.0505 0.179 1
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.0177 0.296
Brugia malayi hypothetical protein 0.0054 0.0029 0.0038
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0109 0.0244 1
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0109 0.0244 0.9185
Schistosoma mansoni hypothetical protein 0.0078 0.012 0.2006
Schistosoma mansoni hypothetical protein 0.0114 0.0263 0.4389
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0177 0.6899
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0167 0.0468 0.2518
Schistosoma mansoni hypothetical protein 0.0053 0.0023 0.0377
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.012 0.1693
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0109 0.0244 0.4071
Schistosoma mansoni hypothetical protein 0.02 0.06 1
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0109 0.0244 1
Brugia malayi hypothetical protein 0.0078 0.012 0.0553
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.099 0.3687 0.5
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.099 0.3687 0.5
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0109 0.0244 0.3839
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0109 0.0244 1
Schistosoma mansoni hypothetical protein 0.0053 0.0023 0.0377
Schistosoma mansoni hypothetical protein 0.02 0.06 1
Echinococcus multilocularis geminin 0.02 0.06 1
Trypanosoma brucei polo-like protein kinase 0.0092 0.0177 0.6337
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0109 0.0244 1
Onchocerca volvulus 0.0109 0.0244 0.0413
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0109 0.0244 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0244 0.1253
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.0177 0.4622
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0109 0.0244 0.3839
Schistosoma mansoni hypothetical protein 0.0114 0.0262 0.4365
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0109 0.0244 0.4071
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0109 0.0244 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.0177 0.2685
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0109 0.0244 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0167 0.0468 0.2518
Loa Loa (eye worm) MH2 domain-containing protein 0.0258 0.0824 0.4535
Trypanosoma brucei RNA helicase, putative 0.0114 0.0263 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.0177 0.0876
Brugia malayi latrophilin 2 splice variant baaae 0.0114 0.0262 0.1353
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0109 0.0244 0.1253
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.0177 0.0876
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.2605 1 1
Onchocerca volvulus 0.0505 0.179 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.0177 0.6899
Brugia malayi hypothetical protein 0.0505 0.179 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0029 0.0038
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.012 0.2006
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0109 0.0244 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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