Detailed information for compound 1161015

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 684.912 | Formula: C36H60N8O5
  • H donors: 4 H acceptors: 5 LogP: 5.8 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1/N=N/N1CCCC1)C(=O)NCCN(CC)CC)CC(C)C)CC(C)C)CC(C)C
  • InChi: 1S/C36H60N8O5/c1-9-43(10-2)18-15-37-33(46)27-13-14-29(30(22-27)41-42-44-16-11-12-17-44)34(47)39-32(21-26(7)8)36(49)40-31(20-25(5)6)35(48)38-28(23-45)19-24(3)4/h13-14,22-26,28,31-32H,9-12,15-21H2,1-8H3,(H,37,46)(H,38,48)(H,39,47)(H,40,49)/b42-41+/t28-,31-,32-/m0/s1
  • InChiKey: BQBIKSOPKWZOIZ-ROIJGQHNSA-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
Loa Loa (eye worm) intermediate filament protein 0.0081 0.506 0.506
Brugia malayi cytoplasmic intermediate filament protein 0.0043 0.2384 0.2384
Loa Loa (eye worm) hypothetical protein 0.0038 0.1973 0.1973
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.2684 0.3066
Echinococcus multilocularis lamin 0.0081 0.506 0.578
Loa Loa (eye worm) hypothetical protein 0.0081 0.506 0.506
Schistosoma mansoni hypothetical protein 0.0048 0.2684 0.3066
Onchocerca volvulus 0.0081 0.506 1
Schistosoma mansoni thyroid hormone receptor 0.0133 0.8754 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.2684 0.3333
Schistosoma mansoni hypothetical protein 0.0103 0.6614 0.7555
Schistosoma mansoni hypothetical protein 0.0048 0.2684 0.3066
Echinococcus multilocularis musashi 0.0081 0.506 0.578
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.8052 0.9197
Schistosoma mansoni hypothetical protein 0.0048 0.2684 0.3066
Echinococcus multilocularis thyroid hormone receptor alpha 0.0133 0.8754 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0039 0.2078 0.2581
Loa Loa (eye worm) hypothetical protein 0.008 0.4954 0.4954
Schistosoma mansoni intermediate filament proteins 0.0081 0.506 0.578
Schistosoma mansoni lamin 0.0081 0.506 0.578
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 1 1
Schistosoma mansoni lamin 0.0081 0.506 0.578
Loa Loa (eye worm) hypothetical protein 0.015 1 1
Brugia malayi MH2 domain containing protein 0.0116 0.7561 0.7561
Onchocerca volvulus 0.0081 0.506 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.7561 0.7561
Echinococcus granulosus GPCR family 2 0.0048 0.2684 0.3333
Echinococcus multilocularis GPCR, family 2 0.0048 0.2684 0.3066
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.2684 0.2684
Echinococcus granulosus intermediate filament protein 0.0081 0.506 0.6284
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0043 0.2384 0.2384
Schistosoma mansoni hypothetical protein 0.0048 0.2684 0.3066
Schistosoma mansoni hypothetical protein 0.0123 0.8052 0.9197
Loa Loa (eye worm) hypothetical protein 0.0039 0.2078 0.2078
Brugia malayi Latrophilin receptor protein 2 0.0048 0.2684 0.2684
Echinococcus multilocularis lamin dm0 0.0081 0.506 0.578
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.8052 1
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.6614 0.6614
Brugia malayi Intermediate filament tail domain containing protein 0.0081 0.506 0.506
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.2684 0.3333
Loa Loa (eye worm) hypothetical protein 0.0048 0.2684 0.2684
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.2684 0.3066
Loa Loa (eye worm) hypothetical protein 0.0038 0.1973 0.1973
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.2684 0.2684
Echinococcus granulosus lamin 0.0081 0.506 0.6284
Echinococcus granulosus lamin dm0 0.0081 0.506 0.6284
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 1 1
Schistosoma mansoni thyroid hormone receptor 0.0133 0.8754 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0081 0.506 0.506
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.7561 0.7561
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0039 0.2078 0.2374
Brugia malayi intermediate filament protein 0.0081 0.506 0.506
Loa Loa (eye worm) hypothetical protein 0.0103 0.6614 0.6614

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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