Detailed information for compound 2071670

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 272.814 | Formula: C14H25ClN2O
  • H donors: 1 H acceptors: 1 LogP: 2.55 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CC2(C1)CCNCC2)C1CCCCC1.Cl
  • InChi: 1S/C14H24N2O.ClH/c17-13(12-4-2-1-3-5-12)16-10-14(11-16)6-8-15-9-7-14;/h12,15H,1-11H2;1H
  • InChiKey: NBMKMGMETCCDNU-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
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0063 0.033 0.0044
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0194 0.1619 0.3357
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0101 0.0705 0.1413
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Loa Loa (eye worm) hypothetical protein 0.007 0.0403 0.0075
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0454 0.4169 0.3996
Loa Loa (eye worm) hypothetical protein 0.007 0.0403 0.0075
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0063 0.033 0.0044
Trichomonas vaginalis Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform, putative 0.0063 0.033 0.0044
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0454 0.4169 0.3996
Trichomonas vaginalis alpha-mannosidase, putative 0.0194 0.1619 0.1371
Echinococcus granulosus endo beta n-acetylglucosaminidase 0.0087 0.0571 0.1081
Echinococcus granulosus sphingosine kinase 1 0.0073 0.0432 0.0736
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Mycobacterium tuberculosis Conserved protein 0.0073 0.0432 0.5
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.0063 0.033 0.0483
Trypanosoma cruzi endo-beta-N-acetylglucosaminidase, putative 0.0087 0.0571 0.1493
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0403 0.0119
Loa Loa (eye worm) hypothetical protein 0.0454 0.4169 0.397
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.033 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.033 0.0044
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Brugia malayi Alpha-mannosidase C1orf22 0.0063 0.033 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.033 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.033 0.0044
Brugia malayi Glycosyl hydrolases family 38 protein 0.0194 0.1619 0.1504
Echinococcus multilocularis endo beta n-acetylglucosaminidase 0.0087 0.0571 0.1081
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0454 0.4169 0.3996
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.0705 0.0977
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0063 0.033 0.0044
Echinococcus multilocularis er degradation enhancing alpha mannosidase 0.0063 0.033 0.0483
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0454 0.4169 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.0705 0.0977
Loa Loa (eye worm) hypothetical protein 0.0454 0.4169 0.397
Loa Loa (eye worm) glycosyl hydrolase family 85 protein 0.0087 0.0571 0.0249
Trichomonas vaginalis Mannosyl-oligosaccharide 1,2-alpha-mannosidase IA, putative 0.0063 0.033 0.0044
Loa Loa (eye worm) hypothetical protein 0.0073 0.0432 0.0105
Echinococcus multilocularis lysosomal alpha mannosidase 0.0227 0.1945 0.4487
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.0376 0.0119
Brugia malayi Melibiase family protein 0.0067 0.0376 0.0244
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Mycobacterium ulcerans alpha-mannosidase 0.0194 0.1619 1
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0101 0.0705 0.1413
Echinococcus granulosus lysosomal alpha mannosidase 0.0227 0.1945 0.4487
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0454 0.4169 1
Brugia malayi Glycosyl hydrolase family 85 protein 0.0087 0.0571 0.0442
Brugia malayi Glycosyl hydrolase family 47 protein 0.0063 0.033 0.0198
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0101 0.0705 0.1413
Loa Loa (eye worm) hypothetical protein 0.0194 0.1619 0.1333
Brugia malayi Alpha-mannosidase C1orf22 0.0063 0.033 0.0198
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0454 0.4169 0.3996
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0227 0.1945 1
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.0063 0.033 0.0483
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0454 0.4169 1
Echinococcus multilocularis sphingosine kinase 1 0.0073 0.0432 0.0736
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.0705 0.0977
Echinococcus multilocularis ER degradation enhancer, mannosidase alpha 0.0063 0.033 0.0483
Loa Loa (eye worm) hypothetical protein 0.0124 0.0932 0.0623
Brugia malayi ER degradation-enhancing alpha-mannosidase-like, putative 0.0063 0.033 0.0198
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0454 0.4169 0.3996
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.033 0.0044
Trypanosoma brucei endo-beta-N-acetylglucosaminidase, putative 0.0087 0.0571 0.1493
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.033 0.0044
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.007 0.0403 0.0119
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.0705 0.0977
Loa Loa (eye worm) hypothetical protein 0.0269 0.2358 0.2097
Brugia malayi Alpha-mannosidase C1orf22 0.0063 0.033 0.0198
Toxoplasma gondii melibiase subfamily protein 0.0101 0.0705 1
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0124 0.0932 0.1569
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.0063 0.033 0.0483
Brugia malayi Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1 0.0454 0.4169 0.4089
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0067 0.0376 0.0091
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.0063 0.033 0.0483
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.033 0.0044
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Echinococcus granulosus alpha mannosidase 2 0.0145 0.1141 0.2495
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0194 0.1619 0.1333
Brugia malayi Glycosyl hydrolases family 38 protein 0.0194 0.1619 0.1504
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.0063 0.033 0.0483
Echinococcus granulosus alpha mannosidase 2 0.0134 0.1026 0.2209
Trichomonas vaginalis glycoside hydrolases, putative 0.0132 0.101 0.0744
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0454 0.4169 0.3996
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0227 0.1945 1
Schistosoma mansoni mannosidase alpha class 2a 0.0269 0.2358 0.5282
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.0454 0.4169 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1141 0.0839
Loa Loa (eye worm) mannosidase 0.0454 0.4169 0.397
Trichomonas vaginalis beta-glucosidase, putative 0.0132 0.101 0.0744
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0454 0.4169 0.3996
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0454 0.4169 0.3996
Loa Loa (eye worm) hypothetical protein 0.0391 0.3555 0.3335
Brugia malayi lysosomal alpha-mannosidase 0.0194 0.1619 0.1504
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1048 1 1
Leishmania major glycosyl hydrolase-like protein 0.0087 0.0571 0.5
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0227 0.1945 1
Brugia malayi Alpha-mannosidase C1orf22 0.0063 0.033 0.0198
Schistosoma mansoni sphingoid long chain base kinase 0.0073 0.0432 0.0265
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.0454 0.4169 1
Trichomonas vaginalis conserved hypothetical protein 0.0454 0.4169 0.3996
Trichomonas vaginalis glucosylceramidase, putative 0.0688 0.6464 0.6359
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0454 0.4169 0.3996
Entamoeba histolytica hypothetical protein, conserved 0.0073 0.0432 0.5
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0227 0.1945 0.4207
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0454 0.4169 0.3996
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0063 0.033 0.0044
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0063 0.033 0.0044
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0063 0.033 0.0044
Trichomonas vaginalis glucosylceramidase, putative 0.0725 0.6827 0.6733
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0169 0.1373 0.6461
Onchocerca volvulus Glucosylceramidase homolog 0.0688 0.6464 1
Echinococcus granulosus er degradation enhancer mannosidase alpha 0.0063 0.033 0.0483
Trichomonas vaginalis glucosylceramidase, putative 0.0725 0.6827 0.6733
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.0376 0.0119
Loa Loa (eye worm) hypothetical protein 0.0067 0.0376 0.0047
Loa Loa (eye worm) hypothetical protein 0.0157 0.1258 0.096
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0454 0.4169 0.3996
Brugia malayi Glycosyl hydrolases family 38 protein 0.0269 0.2358 0.2253
Schistosoma mansoni endo beta n-acetylglucosaminidase 0.0087 0.0571 0.0628
Trichomonas vaginalis glucosylceramidase, putative 0.1048 1 1
Echinococcus multilocularis transfer RNA-Trp 0.0454 0.4169 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0454 0.4169 0.3996
Schistosoma mansoni sphingosine kinase A B 0.0073 0.0432 0.0265
Echinococcus multilocularis alpha mannosidase 2 0.0269 0.2358 0.551
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0194 0.1619 0.1371
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0454 0.4169 0.3996
Trypanosoma cruzi endo-beta-N-acetylglucosaminidase, putative 0.0087 0.0571 0.1493

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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