Detailed information for compound 1913806

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 421.499 | Formula: C21H45BrN2O
  • H donors: 1 H acceptors: 1 LogP: 7.59 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCC[N+](CCCNC(=O)C)(C)C.[Br-]
  • InChi: 1S/C21H44N2O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-23(3,4)20-17-18-22-21(2)24;/h5-20H2,1-4H3;1H
  • InChiKey: CJPWKCCSJKNXGB-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
Trypanosoma brucei heat shock protein, putative 0.0035 0.529 1
Trypanosoma brucei heat shock protein, putative 0.0035 0.529 1
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Schistosoma mansoni flap endonuclease-1 0.0026 0.2857 0.4924
Trichomonas vaginalis heat shock protein, putative 0.0035 0.529 1
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Echinococcus granulosus endoplasmin 0.0028 0.3493 0.6603
Trypanosoma brucei heat shock protein 90, putative 0.0035 0.529 1
Entamoeba histolytica Flap nuclease, putative 0.0028 0.3536 0.6632
Trypanosoma cruzi heat shock protein 85, putative 0.0028 0.3493 0.655
Trypanosoma brucei heat shock protein, putative 0.0035 0.529 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.3536 0.6632
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0028 0.3493 0.6603
Loa Loa (eye worm) hypothetical protein 0.0054 1 1
Echinococcus multilocularis musashi 0.0029 0.3788 0.716
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0749 0.0672
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0028 0.3493 0.655
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0389 0.0309
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 1 1
Echinococcus granulosus heat shock protein 90 0.0028 0.3493 0.6603
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0749 0.1416
Trichomonas vaginalis endoplasmin, putative 0.0022 0.1879 0.345
Trypanosoma brucei heat shock protein, putative 0.0035 0.529 1
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0014 0.0082 0.0156
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Loa Loa (eye worm) heat shock protein 75 0.0014 0.0082 0.0082
Mycobacterium ulcerans heat shock protein 90 0.0028 0.3493 0.5
Onchocerca volvulus 0.0029 0.3788 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0028 0.3493 0.5
Trypanosoma brucei heat shock protein 90, putative 0.0035 0.529 1
Brugia malayi heat shock protein 90 0.0035 0.529 0.5251
Toxoplasma gondii heat shock protein HSP90 0.0035 0.529 1
Schistosoma mansoni hypothetical protein 0.0017 0.0749 0.1183
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0749 0.0672
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.529 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.3536 0.6632
Loa Loa (eye worm) heat shock protein 90 0.0035 0.529 0.529
Schistosoma mansoni hypothetical protein 0.0017 0.0749 0.1183
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.5718 0.5682
Echinococcus granulosus heat shock protein 90 0.0035 0.529 1
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.3536 0.6632
Trypanosoma cruzi heat shock protein 90, putative 0.0028 0.3493 0.655
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Brugia malayi Flap endonuclease-1 0.0028 0.3536 0.3483
Schistosoma mansoni hypothetical protein 0.0017 0.0749 0.1183
Trichomonas vaginalis heat shock protein, putative 0.0022 0.1879 0.345
Schistosoma mansoni intermediate filament proteins 0.0029 0.3788 0.6575
Echinococcus granulosus heat shock protein 0.0035 0.529 1
Brugia malayi intermediate filament protein 0.0029 0.3788 0.3736
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Entamoeba histolytica heat shock protein 90, putative 0.0035 0.529 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.3788 0.3788
Toxoplasma gondii heat shock protein 90, putative 0.0035 0.529 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0389 0.0389
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Echinococcus multilocularis lamin dm0 0.0029 0.3788 0.716
Echinococcus multilocularis GPCR, family 2 0.0017 0.0749 0.1416
Loa Loa (eye worm) hypothetical protein 0.0029 0.3788 0.3788
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.3536 0.6632
Plasmodium vivax heat shock protein 86, putative 0.0035 0.529 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0035 0.529 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0749 0.1416
Brugia malayi Endoplasmin precursor 0.0035 0.529 0.5251
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.3536 0.3536
Trypanosoma cruzi heat shock protein 90, putative 0.0035 0.529 1
Trichomonas vaginalis heat shock protein, putative 0.0028 0.3493 0.655
Plasmodium vivax endoplasmin, putative 0.0035 0.529 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0028 0.3493 0.5
Trichomonas vaginalis heat shock protein, putative 0.0028 0.3493 0.655
Echinococcus granulosus lamin 0.0029 0.3788 0.716
Schistosoma mansoni endoplasmin 0.0035 0.529 0.9241
Echinococcus multilocularis flap endonuclease 1 0.0028 0.3536 0.6685
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0014 0.0082 0.0156
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0035 0.529 1
Plasmodium falciparum heat shock protein 90 0.0035 0.529 1
Schistosoma mansoni heat shock protein 0.0035 0.529 0.9241
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0749 0.0749
Echinococcus granulosus lamin dm0 0.0029 0.3788 0.716
Trypanosoma brucei heat shock protein, putative 0.0035 0.529 1
Plasmodium falciparum flap endonuclease 1 0.0028 0.3536 0.6632
Schistosoma mansoni hypothetical protein 0.0037 0.5718 1
Echinococcus multilocularis endoplasmin 0.0028 0.3493 0.6603
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Echinococcus granulosus GPCR family 2 0.0017 0.0749 0.1416
Echinococcus multilocularis heat shock protein 0.0035 0.529 1
Plasmodium falciparum endoplasmin, putative 0.0022 0.1879 0.345
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Trypanosoma cruzi heat shock protein 90, putative 0.0021 0.1675 0.3058
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.3536 0.6632
Echinococcus multilocularis lamin 0.0029 0.3788 0.716
Treponema pallidum heat shock protein 90 0.0028 0.3493 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.529 1
Schistosoma mansoni endoplasmin 0.0035 0.529 0.9241
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.3536 0.6632
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0028 0.3493 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.3788 0.3788
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.3536 0.0239
Schistosoma mansoni heat shock protein 0.0035 0.529 0.9241
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0749 0.1416
Echinococcus multilocularis heat shock protein 90 0.0028 0.3493 0.6603
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Trichomonas vaginalis heat shock protein, putative 0.0028 0.3493 0.655
Trypanosoma brucei Heat shock protein 83, putative 0.0035 0.529 1
Schistosoma mansoni hypothetical protein 0.0017 0.0749 0.1183
Loa Loa (eye worm) endoplasmin 0.0035 0.529 0.529
Trypanosoma cruzi heat shock protein 85, putative 0.0035 0.529 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0749 0.1416
Loa Loa (eye worm) hypothetical protein 0.0017 0.0749 0.0749
Trypanosoma brucei heat shock protein, putative 0.0035 0.529 1
Trypanosoma brucei heat shock protein, putative 0.0035 0.529 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.3788 0.3736
Onchocerca volvulus 0.0029 0.3788 1
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Entamoeba histolytica heat shock protein 90, putative 0.0035 0.529 1
Schistosoma mansoni lamin 0.0029 0.3788 0.6575
Schistosoma mansoni lamin 0.0029 0.3788 0.6575
Loa Loa (eye worm) hypothetical protein 0.0037 0.5718 0.5718
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.3654 0.3654
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Echinococcus multilocularis heat shock protein 90 0.0035 0.529 1
Echinococcus granulosus intermediate filament protein 0.0029 0.3788 0.716
Trypanosoma brucei heat shock protein, putative 0.0035 0.529 1
Leishmania major heat shock protein 83-1 0.0035 0.529 1
Echinococcus granulosus flap endonuclease 1 0.0028 0.3536 0.6685

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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