Detailed information for compound 1076613

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.455 | Formula: C24H20N6O
  • H donors: 3 H acceptors: 4 LogP: 4.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1nc(NCc2ccc(cc2)NC(=O)c2ccc(cc2)C#N)c2c(n1)cccc2
  • InChi: 1S/C24H20N6O/c1-26-24-29-21-5-3-2-4-20(21)22(30-24)27-15-17-8-12-19(13-9-17)28-23(31)18-10-6-16(14-25)7-11-18/h2-13H,15H2,1H3,(H,28,31)(H2,26,27,29,30)
  • InChiKey: BUCKBHOWKWDMMK-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
Loa Loa (eye worm) hypothetical protein 0.003 0.0299 0.0427
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0269 0.0269
Loa Loa (eye worm) hypothetical protein 0.0055 0.0976 0.1393
Brugia malayi TAR-binding protein 0.0267 0.6688 0.9549
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0411 0.0586
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0976 0.1393
Schistosoma mansoni tar DNA-binding protein 0.0267 0.6688 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0843 0.1204
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0267 0.6688 0.9549
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.02 0.02
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0843 0.1204
Loa Loa (eye worm) hypothetical protein 0.0027 0.02 0.0286
Echinococcus multilocularis lamin 0.0055 0.0976 0.0976
Loa Loa (eye worm) hypothetical protein 0.0054 0.0948 0.1354
Loa Loa (eye worm) transcription factor SMAD2 0.0278 0.7004 1
Schistosoma mansoni lamin 0.0055 0.0976 0.1459
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.028 0.0399
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.5213 0.7443
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.028 0.0399
Loa Loa (eye worm) hypothetical protein 0.0035 0.0411 0.0586
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0976 0.1393
Echinococcus granulosus intermediate filament protein 0.0055 0.0976 0.0976
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0299 0.0448
Schistosoma mansoni lamin 0.0055 0.0976 0.1459
Onchocerca volvulus 0.0055 0.0976 0.1185
Brugia malayi Pre-SET motif family protein 0.0212 0.5213 0.7443
Trichomonas vaginalis set domain proteins, putative 0.0241 0.6005 1
Echinococcus multilocularis musashi 0.0055 0.0976 0.0976
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0051 0.0843 0.1204
Loa Loa (eye worm) TAR-binding protein 0.0267 0.6688 0.9549
Brugia malayi MH2 domain containing protein 0.0278 0.7004 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0299 0.0299
Brugia malayi RNA recognition motif domain containing protein 0.0267 0.6688 0.9549
Plasmodium vivax SET domain protein, putative 0.003 0.0299 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0299 0.5
Schistosoma mansoni tar DNA-binding protein 0.0267 0.6688 1
Schistosoma mansoni hypothetical protein 0.0035 0.0411 0.0614
Onchocerca volvulus 0.0057 0.1017 0.1258
Brugia malayi Pre-SET motif family protein 0.003 0.0299 0.0427
Onchocerca volvulus 0.0156 0.3688 0.594
Loa Loa (eye worm) RNA binding protein 0.0267 0.6688 0.9549
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0976 0.1393
Schistosoma mansoni tar DNA-binding protein 0.0267 0.6688 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.3688 0.5266
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0299 0.0299
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0299 0.0448
Schistosoma mansoni intermediate filament proteins 0.0055 0.0976 0.1459
Schistosoma mansoni tar DNA-binding protein 0.0267 0.6688 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0278 0.7004 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0173 0.0246
Loa Loa (eye worm) hypothetical protein 0.0026 0.0173 0.0246
Echinococcus granulosus lamin dm0 0.0055 0.0976 0.0976
Brugia malayi hypothetical protein 0.0156 0.3688 0.5266
Brugia malayi RNA binding protein 0.0267 0.6688 0.9549
Echinococcus granulosus tar DNA binding protein 0.0267 0.6688 0.6688
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0299 0.0448
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0299 0.0448
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0299 0.0299
Onchocerca volvulus 0.0055 0.0976 0.1185
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0843 0.1204
Echinococcus granulosus lamin 0.0055 0.0976 0.0976
Schistosoma mansoni tar DNA-binding protein 0.0267 0.6688 1
Echinococcus multilocularis lamin dm0 0.0055 0.0976 0.0976
Brugia malayi intermediate filament protein 0.0055 0.0976 0.1393
Echinococcus multilocularis tar DNA binding protein 0.0267 0.6688 0.6688
Onchocerca volvulus 0.0241 0.6005 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.1017 0.1452
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.1017 0.152

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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