Detailed information for compound 1208185

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.346 | Formula: C16H17N6O+
  • H donors: 3 H acceptors: 1 LogP: 2.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=N)N/N=C/c1ccc(cc1)c1cn2c([n+]1C)cccc2
  • InChi: 1S/C16H17N6O/c1-21-14(11-22-9-3-2-4-15(21)22)13-7-5-12(6-8-13)10-18-19-16(17)20-23/h2-11,23H,1H3,(H3,17,19,20)/q+1/b18-10+
  • InChiKey: DCLWXNNAQUCKLV-VCHYOVAHSA-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
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0681 0.1547
Schistosoma mansoni importin beta-1 0.0028 0.0681 0.0681
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0014 0.0215 0.0215
Plasmodium falciparum importin beta, putative 0.0028 0.0681 1
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.2955 0.2955
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.2059 0.2059
Entamoeba histolytica hypothetical protein 0.0023 0.0499 0.0285
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.2955 0.2955
Loa Loa (eye worm) hypothetical protein 0.0068 0.2059 0.2059
Plasmodium vivax importin-beta 2, putative 0.0028 0.0681 1
Brugia malayi RNA, U transporter 1 0.008 0.2457 0.6369
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.2059 0.6455
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0102 0.3228 0.3228
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2955 1
Trypanosoma brucei polo-like protein kinase 0.0094 0.2955 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0681 0.0681
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2955 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.3857 0.3857
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.2955 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2955 1
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.132 0.3535
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0499 0.0285
Schistosoma mansoni hypothetical protein 0.0299 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2955 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.2955 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2955 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0427 0.0427
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.2059 0.2059
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.2955 1
Schistosoma mansoni ran 0.0021 0.0427 0.0427
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0102 0.3228 0.3228
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.2955 0.7661
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0681 0.0681
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0499 0.0285
Toxoplasma gondii melibiase subfamily protein 0.0102 0.3228 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0681 0.1006
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.2955 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.3228 0.3228
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0102 0.3228 0.3228
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0427 0.0427
Giardia lamblia Kinase, PLK 0.0094 0.2955 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.3857 0.3857
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0499 0.0285
Brugia malayi Importin beta-1 subunit 0.0028 0.0681 0.1766
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0499 0.0285
Leishmania major importin beta-1 subunit, putative 0.0023 0.0499 0.0285
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.3228 0.3228
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.132 0.3535
Echinococcus multilocularis snurportin 1 0.0299 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0681 0.1006
Brugia malayi Melibiase family protein 0.0068 0.2059 0.5337
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.2955 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0427 0.0704
Schistosoma mansoni kinase 0.0048 0.1363 0.1363
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0427 0.1107
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.2955 0.2955
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.3228 0.3228
Echinococcus granulosus importin subunit beta 1 0.0028 0.0681 0.0681
Schistosoma mansoni ran 0.0021 0.0427 0.0427
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.2955 0.2955
Brugia malayi MH2 domain containing protein 0.012 0.3857 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.3228 0.3228
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2955 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0427 0.0427
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.2955 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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