Detailed information for compound 1805127

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.501 | Formula: C22H31N3O
  • H donors: 1 H acceptors: 2 LogP: 4.88 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCn1nc2c(c1C(=O)NCc1ccc(cc1)C(C)(C)C)CCC2
  • InChi: 1S/C22H31N3O/c1-5-6-14-25-20(18-8-7-9-19(18)24-25)21(26)23-15-16-10-12-17(13-11-16)22(2,3)4/h10-13H,5-9,14-15H2,1-4H3,(H,23,26)
  • InChiKey: HKRRHFGILCALQK-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 brucei glucosidase, putative 0.0122 0.0067 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0171 0.0251 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.1332 0.4588 0.6376
Loa Loa (eye worm) hypothetical protein 0.0816 0.266 0.3274
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0178 0.0277 0.0211
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0145 0.0153 0.0189
Schistosoma mansoni alpha glucosidase 0.0122 0.0067 0.0083
Trypanosoma cruzi hypothetical protein, conserved 0.0122 0.0067 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0122 0.0067 0.0083
Trichomonas vaginalis glucosylceramidase, putative 0.203 0.7196 1
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.0142 0.0175
Trichomonas vaginalis glycoside hydrolase, putative 0.0511 0.1522 0.2115
Loa Loa (eye worm) acetyltransferase 0.0142 0.0142 0.0175
Loa Loa (eye worm) hypothetical protein 0.0522 0.1562 0.1923
Trichomonas vaginalis glucosylceramidase, putative 0.203 0.7196 1
Trichomonas vaginalis glucosylceramidase, putative 0.1332 0.4588 0.6376
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0178 0.0277 0.0211
Onchocerca volvulus 0.0352 0.0927 0.0541
Trypanosoma cruzi hypothetical protein, conserved 0.0122 0.0067 0.5
Trichomonas vaginalis conserved hypothetical protein 0.032 0.0808 0.1123
Plasmodium vivax hypothetical protein, conserved 0.0171 0.0251 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.0142 0.0075
Toxoplasma gondii melibiase subfamily protein 0.0178 0.0277 1
Schistosoma mansoni hypothetical protein 0.0304 0.0746 0.0919
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.0142 0.0175
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.203 0.7196 0.8859
Trichomonas vaginalis alpha-glucosidase, putative 0.0122 0.0067 0.0094
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0122 0.0067 0.0094
Trichomonas vaginalis maltase-glucoamylase, putative 0.0122 0.0067 0.0094
Mycobacterium ulcerans alpha-L-fucosidase 0.2781 1 0.5
Schistosoma mansoni beta-galactosidase 0.0522 0.1562 0.1923
Trichomonas vaginalis sucrase-isomaltase, putative 0.0122 0.0067 0.0094
Echinococcus multilocularis lysosomal alpha glucosidase 0.0633 0.1979 0.1924
Trichomonas vaginalis glucosylceramidase, putative 0.1332 0.4588 0.6376
Loa Loa (eye worm) hypothetical protein 0.0145 0.0153 0.0189
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0178 0.0277 0.0341
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0145 0.0153 0.0213
Trichomonas vaginalis glucosylceramidase, putative 0.203 0.7196 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.0128 0.006
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0122 0.0067 0.0094
Echinococcus granulosus lysosomal alpha glucosidase 0.0633 0.1979 0.1924
Trichomonas vaginalis glucosylceramidase, putative 0.203 0.7196 1
Brugia malayi Alpha-L-fucosidase family protein 0.2278 0.8123 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0122 0.0067 0.0094
Entamoeba histolytica beta-galactosidase, putative 0.0216 0.042 1
Echinococcus granulosus beta galactosidase 0.0522 0.1562 0.1504
Echinococcus multilocularis beta galactosidase 0.0522 0.1562 0.1504
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0178 0.0277 0.0211
Trichomonas vaginalis glucosylceramidase, putative 0.1404 0.4856 0.6748
Onchocerca volvulus Glucosylceramidase homolog 0.1332 0.4588 1
Trichomonas vaginalis glucosylceramidase, putative 0.1332 0.4588 0.6376
Schistosoma mansoni alpha-glucosidase 0.0578 0.177 0.2179
Trichomonas vaginalis alpha-glucosidase, putative 0.0122 0.0067 0.0094
Loa Loa (eye worm) hypothetical protein 0.0296 0.0718 0.0884
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.2781 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.1404 0.4856 0.6748
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0633 0.1979 0.2436
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0145 0.0153 0.0189
Trichomonas vaginalis beta-galactosidase, putative 0.032 0.0808 0.1123
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0178 0.0277 0.0341
Trichomonas vaginalis alpha-glucosidase, putative 0.0122 0.0067 0.0094
Trichomonas vaginalis glucosylceramidase, putative 0.1332 0.4588 0.6376
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0999 0.3346 0.465
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0178 0.0277 0.0341
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.203 0.7196 0.8859
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0178 0.0277 0.0341
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0122 0.0067 0.0083
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0112 0.0032 0.004
Trichomonas vaginalis glucosylceramidase, putative 0.203 0.7196 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0633 0.1979 0.2436
Schistosoma mansoni alpha-l-fucosidase 0.2278 0.8123 1
Leishmania major alpha glucosidase II subunit, putative 0.0122 0.0067 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0122 0.0067 0.0094
Trichomonas vaginalis glucosylceramidase, putative 0.203 0.7196 1
Brugia malayi Melibiase family protein 0.0145 0.0153 0.0189
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0112 0.0032 0.004
Trichomonas vaginalis glucosylceramidase, putative 0.1332 0.4588 0.6376
Echinococcus multilocularis lysosomal alpha glucosidase 0.0633 0.1979 0.1924
Loa Loa (eye worm) alpha-L-fucosidase 0.2278 0.8123 1
Schistosoma mansoni alpha-glucosidase 0.0578 0.177 0.2179
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0999 0.3346 0.465
Trichomonas vaginalis glucosylceramidase, putative 0.1332 0.4588 0.6376
Brugia malayi hypothetical protein 0.0296 0.0718 0.0884

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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