Detailed information for compound 821141

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 460.634 | Formula: C27H32N4OS
  • H donors: 1 H acceptors: 2 LogP: 3.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1cscc1)NCc1c(C)ncc2c1CCN(C2)Cc1ccc(cc1)N1CCCC1
  • InChi: 1S/C27H32N4OS/c1-20-26(16-29-27(32)14-22-9-13-33-19-22)25-8-12-30(18-23(25)15-28-20)17-21-4-6-24(7-5-21)31-10-2-3-11-31/h4-7,9,13,15,19H,2-3,8,10-12,14,16-18H2,1H3,(H,29,32)
  • InChiKey: RMXXAIQVIGXJEY-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
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.2741 0.2741
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.4672 0.5266
Echinococcus multilocularis lamin 0.0029 0.0368 0.0368
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1036 0.1405
Echinococcus multilocularis geminin 0.0359 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.4672 0.5266
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.4672 0.5266
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.4672 0.5266
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1036 0.1405
Schistosoma mansoni hypothetical protein 0.0035 0.0556 0.0556
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0368 0.05
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.4672 0.5266
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.1037 0.1407
Brugia malayi hypothetical protein 0.0255 0.6956 0.9437
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7371 1
Echinococcus multilocularis survival motor neuron protein 1 0.0255 0.6956 0.6956
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.011 0.2741 0.2741
Loa Loa (eye worm) hypothetical protein 0.0028 0.0353 0.0479
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.2741 0.2741
Brugia malayi hypothetical protein 0.0039 0.0652 0.0884
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0074 0.1668 0.1668
Schistosoma mansoni survival motor neuron protein 0.0052 0.1037 0.1037
Loa Loa (eye worm) hypothetical protein 0.0074 0.1668 0.2263
Echinococcus granulosus lamin 0.0029 0.0368 0.0368
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0074 0.1668 0.1668
Echinococcus granulosus lamin dm0 0.0029 0.0368 0.0368
Schistosoma mansoni hypothetical protein 0.0039 0.0652 0.0652
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.2741 0.2741
Onchocerca volvulus 0.0052 0.1037 0.1554
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0652 0.0652
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0368 0.05
Entamoeba histolytica hypothetical protein 0.0039 0.0652 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7371 1
Schistosoma mansoni hypothetical protein 0.0359 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.4672 0.5266
Schistosoma mansoni lamin 0.0029 0.0368 0.0368
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.4672 0.5266
Schistosoma mansoni lamin 0.0029 0.0368 0.0368
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.4949 0.5753
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7371 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.011 0.2741 0.2741
Brugia malayi Melibiase family protein 0.0074 0.1668 0.2263
Echinococcus multilocularis musashi 0.0029 0.0368 0.0368
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1036 0.1405
Echinococcus granulosus survival motor neuron protein 1 0.0255 0.6956 0.6956
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.011 0.2741 0.2741
Schistosoma mansoni intermediate filament proteins 0.0029 0.0368 0.0368
Entamoeba histolytica hypothetical protein 0.0039 0.0652 0.5
Echinococcus granulosus intermediate filament protein 0.0029 0.0368 0.0368
Loa Loa (eye worm) hypothetical protein 0.0035 0.0556 0.0755
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7371 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1036 0.1405
Schistosoma mansoni hypothetical protein 0.0359 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.0652 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.4949 0.5753
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7371 1
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0652 0.0652
Loa Loa (eye worm) hypothetical protein 0.0029 0.0368 0.05
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0652 0.0652
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0269 0.7371 1
Brugia malayi intermediate filament protein 0.0029 0.0368 0.05
Entamoeba histolytica hypothetical protein 0.0039 0.0652 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0556 0.0755
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0368 0.05
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0269 0.7371 1
Schistosoma mansoni hypothetical protein 0.0052 0.1037 0.1037
Toxoplasma gondii melibiase subfamily protein 0.011 0.2741 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.7371 1
Onchocerca volvulus Glucosylceramidase homolog 0.0176 0.4672 1
Echinococcus multilocularis lamin dm0 0.0029 0.0368 0.0368
Loa Loa (eye worm) hypothetical protein 0.0255 0.6956 0.9437
Echinococcus multilocularis Glycoside hydrolase, family 27 0.011 0.2741 0.2741

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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