Detailed information for compound 1042198

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 513.556 | Formula: C30H26F3N5
  • H donors: 1 H acceptors: 2 LogP: 6.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: FC(c1ccc2c(c1)nc([nH]2)c1ccc(cc1)c1cccc(c1)CN1CCN(CC1)c1ccncc1)(F)F
  • InChi: 1S/C30H26F3N5/c31-30(32,33)25-8-9-27-28(19-25)36-29(35-27)23-6-4-22(5-7-23)24-3-1-2-21(18-24)20-37-14-16-38(17-15-37)26-10-12-34-13-11-26/h1-13,18-19H,14-17,20H2,(H,35,36)
  • InChiKey: UHBKHVADSVTRRB-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
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0174 1
Schistosoma mansoni lamin 0.0026 0.0079 0.0114
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0174 1
Schistosoma mansoni microtubule-associated protein tau 0.067 0.6917 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.1481 0.2141
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0079 0.0534
Entamoeba histolytica hypothetical protein 0.0035 0.0172 0.9896
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0079 0.0534
Echinococcus granulosus intermediate filament protein 0.0026 0.0079 0.0114
Schistosoma mansoni intermediate filament proteins 0.0026 0.0079 0.0114
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0174 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0174 1
Schistosoma mansoni alpha-glucosidase 0.0136 0.1247 0.1803
Echinococcus granulosus lamin 0.0026 0.0079 0.0114
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0174 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0174 1
Schistosoma mansoni alpha glucosidase 0.0035 0.0174 0.0251
Schistosoma mansoni lamin 0.0026 0.0079 0.0114
Entamoeba histolytica hypothetical protein 0.0035 0.0172 0.9896
Mycobacterium ulcerans naphthoate synthase 0.096 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0174 0.0251
Trypanosoma brucei glucosidase, putative 0.0035 0.0174 1
Echinococcus multilocularis musashi 0.0026 0.0079 0.0114
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0174 0.1173
Echinococcus granulosus microtubule associated protein 2 0.067 0.6917 1
Brugia malayi Cytochrome P450 family protein 0.0044 0.0267 0.1806
Brugia malayi hypothetical protein 0.0035 0.0172 0.1161
Echinococcus multilocularis lamin dm0 0.0026 0.0079 0.0114
Mycobacterium tuberculosis Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase) 0.096 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0174 1
Schistosoma mansoni hypothetical protein 0.0035 0.0172 0.0249
Loa Loa (eye worm) hypothetical protein 0.0026 0.0074 0.05
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0174 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1481 0.2141
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0174 0.1173
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0174 1
Entamoeba histolytica hypothetical protein 0.0035 0.0172 0.9896
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0174 0.0251
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0174 1
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0174 1
Echinococcus multilocularis lamin 0.0026 0.0079 0.0114
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1481 0.2141
Giardia lamblia DINP protein human, muc B family 0.0019 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0172 0.0249
Loa Loa (eye worm) hypothetical protein 0.0026 0.0079 0.0534
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0172 0.0249
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0172 0.0249
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0079 0.0534
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0174 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.1481 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0174 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0267 0.1806
Entamoeba histolytica hypothetical protein 0.0035 0.0172 0.9896
Echinococcus granulosus lamin dm0 0.0026 0.0079 0.0114
Echinococcus multilocularis microtubule associated protein 2 0.067 0.6917 1
Onchocerca volvulus 0.0091 0.0773 1
Schistosoma mansoni alpha-glucosidase 0.0136 0.1247 0.1803
Brugia malayi intermediate filament protein 0.0026 0.0079 0.0534
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0174 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0174 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.1481 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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