Detailed information for compound 868296

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.454 | Formula: C18H28N6O2
  • H donors: 1 H acceptors: 3 LogP: 0.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCNC(=O)Cn1cnc2c(c1=O)nc1n2CCCCC1)CC
  • InChi: 1S/C18H28N6O2/c1-3-22(4-2)11-9-19-15(25)12-23-13-20-17-16(18(23)26)21-14-8-6-5-7-10-24(14)17/h13H,3-12H2,1-2H3,(H,19,25)
  • InChiKey: NONIUKXRMCKOSU-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
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0423 0.2637 0.4822
Loa Loa (eye worm) hypothetical protein 0.0169 0.0479 0.0379
Mycobacterium ulcerans alpha-L-fucosidase 0.0423 0.2637 0.5
Schistosoma mansoni beta-galactosidase 0.0522 0.3474 0.6694
Trichomonas vaginalis glycoside hydrolases, putative 0.0131 0.0155 0.0194
Loa Loa (eye worm) alpha-L-fucosidase 0.0256 0.1218 0.1126
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0578 0.072
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0417 0.2585 0.2507
Echinococcus granulosus microtubule associated protein 2 0.0696 0.4953 1
Schistosoma mansoni microtubule-associated protein tau 0.0696 0.4953 1
Plasmodium vivax hypothetical protein, conserved 0.0159 0.04 0.5
Loa Loa (eye worm) hypothetical protein 0.0522 0.3474 0.3406
Trichomonas vaginalis conserved hypothetical protein 0.0757 0.5469 0.6807
Brugia malayi manba-prov protein 0.0245 0.1131 0.4346
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0578 0.072
Trichomonas vaginalis glycoside hydrolase, putative 0.1059 0.8034 1
Trichomonas vaginalis beta-glucosidase, putative 0.0131 0.0155 0.0194
Brugia malayi Cytochrome P450 family protein 0.0124 0.0104 0.0354
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0578 0.072
Trichomonas vaginalis beta-hexosaminidase B, putative 0.017 0.049 0.061
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.138 0.1718
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0275 0.138 0.129
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0275 0.138 0.5316
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0578 0.072
Trichomonas vaginalis beta-galactosidase, putative 0.0757 0.5469 0.6807
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.138 0.1718
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.0661 0.0822
Toxoplasma gondii melibiase subfamily protein 0.0169 0.0479 0.5
Echinococcus granulosus beta hexosaminidase subunit alpha 0.017 0.049 0.0025
Echinococcus multilocularis microtubule associated protein 2 0.0696 0.4953 1
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0578 0.072
Trichomonas vaginalis beta-hexosaminidase, putative 0.017 0.049 0.061
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0578 0.072
Brugia malayi Beta-glucuronidase precursor 0.0396 0.2412 0.9325
Trichomonas vaginalis beta-hexosaminidase, putative 0.017 0.049 0.061
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.138 0.1718
Echinococcus multilocularis beta galactosidase 0.0522 0.3474 0.6694
Brugia malayi Alpha-L-fucosidase family protein 0.0256 0.1218 0.4685
Echinococcus granulosus beta galactosidase 0.0522 0.3474 0.6694
Onchocerca volvulus Glucosylceramidase homolog 0.018 0.0578 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.0329 0.0228
Loa Loa (eye worm) beta-glucuronidase 0.0396 0.2412 0.2332
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0578 0.072
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.138 0.1718
Echinococcus multilocularis beta hexosaminidase subunit alpha 0.017 0.049 0.0025
Schistosoma mansoni alpha-l-fucosidase 0.0256 0.1218 0.1651
Entamoeba histolytica beta-galactosidase, putative 0.0511 0.3387 0.5
Trichomonas vaginalis beta-mannosidase, putative 0.0245 0.1131 0.1407
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0159 0.04 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.0661 0.0822
Trichomonas vaginalis beta-hexosaminidase, putative 0.017 0.049 0.061
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.138 0.1718
Schistosoma mansoni hypothetical protein 0.0568 0.3869 0.7577
Brugia malayi Melibiase family protein 0.0169 0.0479 0.1813
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0417 0.2585 1
Schistosoma mansoni beta-mannosidase 0.0245 0.1131 0.1456
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0169 0.0479 0.0596
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0423 0.2637 0.4822
Trichomonas vaginalis glucosylceramidase, putative 0.0275 0.138 0.1718

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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