Detailed information for compound 1684917

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.422 | Formula: C20H25FN2O4
  • H donors: 4 H acceptors: 2 LogP: 1.77 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1CN[C@@H]([C@H]1O)CN[C@H](c1ccccc1)COCOc1ccccc1F
  • InChi: 1S/C20H25FN2O4/c21-15-8-4-5-9-19(15)27-13-26-12-17(14-6-2-1-3-7-14)22-10-16-20(25)18(24)11-23-16/h1-9,16-18,20,22-25H,10-13H2/t16-,17+,18+,20-/m1/s1
  • InChiKey: FYORRKSEMNGZQH-DOADOZAASA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mannosidase, alpha, class 2A, member 1 Starlite/ChEMBL References
Homo sapiens mannosidase, alpha, class 1B, member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Get druggable targets OG5_126925 All targets in OG5_126925
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Schistosoma japonicum Alpha-mannosidase 2, putative Get druggable targets OG5_130088 All targets in OG5_130088
Loa Loa (eye worm) mannosidase Get druggable targets OG5_126925 All targets in OG5_126925
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130088 All targets in OG5_130088
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide Get druggable targets OG5_126925 All targets in OG5_126925
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126925 All targets in OG5_126925
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase Get druggable targets OG5_126925 All targets in OG5_126925
Candida albicans alpha mannosidase Get druggable targets OG5_126925 All targets in OG5_126925
Schistosoma japonicum ko:K01230 mannosyl-oligosaccharide alpha-1,2-mannosidase [EC3.2.1.113], putative Get druggable targets OG5_126925 All targets in OG5_126925
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130088 All targets in OG5_130088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126925 All targets in OG5_126925
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide Get druggable targets OG5_126925 All targets in OG5_126925
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_126925 All targets in OG5_126925
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase Get druggable targets OG5_126925 All targets in OG5_126925
Schistosoma mansoni mannosidase alpha class 2a Get druggable targets OG5_130088 All targets in OG5_130088
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Echinococcus granulosus alpha mannosidase 2 Get druggable targets OG5_130088 All targets in OG5_130088
Schistosoma japonicum Mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Get druggable targets OG5_126925 All targets in OG5_126925
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Brugia malayi Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1 Get druggable targets OG5_126925 All targets in OG5_126925
Brugia malayi Glycosyl hydrolases family 38 protein Get druggable targets OG5_130088 All targets in OG5_130088
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Candida albicans alpha mannosidase Get druggable targets OG5_126925 All targets in OG5_126925
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase Get druggable targets OG5_126925 All targets in OG5_126925
Schistosoma japonicum Alpha-mannosidase 2, putative Get druggable targets OG5_130088 All targets in OG5_130088
Echinococcus multilocularis alpha mannosidase 2 Get druggable targets OG5_130088 All targets in OG5_130088
Echinococcus granulosus alpha mannosidase 2 Get druggable targets OG5_130088 All targets in OG5_130088
Schistosoma japonicum Alpha-mannosidase 2, putative Get druggable targets OG5_130088 All targets in OG5_130088
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126925 All targets in OG5_126925
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Echinococcus multilocularis transfer RNA-Trp Get druggable targets OG5_126925 All targets in OG5_126925

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
Schistosoma mansoni mannosidase alpha class 2a 0.008 1 1
Echinococcus multilocularis transfer RNA-Trp 0.0057 0.4517 0.1167
Loa Loa (eye worm) hypothetical protein 0.0057 0.4517 0.3208
Echinococcus granulosus alpha mannosidase 2 0.0046 0.1928 0.2279
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 0.4517 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 0.4517 1
Brugia malayi Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1 0.0057 0.4517 0.1167
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 0.4517 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 0.4517 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 0.4517 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 0.4517 1
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.4517 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 0.4517 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 0.4517 1
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0057 0.4517 0.1167
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 0.4517 1
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0054 0.3793 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.2676 0.0927
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0054 0.3793 0.2311
Mycobacterium ulcerans alpha-mannosidase 0.0054 0.3793 0.5
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.0057 0.4517 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 0.4517 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.4517 0.3208
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0054 0.3793 0.5
Loa Loa (eye worm) mannosidase 0.0057 0.4517 0.3208
Loa Loa (eye worm) hypothetical protein 0.008 1 1
Onchocerca volvulus 0.0054 0.3793 0.5
Echinococcus multilocularis alpha mannosidase 2 0.008 1 1
Echinococcus granulosus lysosomal alpha mannosidase 0.0054 0.3793 0.7841
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0057 0.4517 0.1167
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0057 0.4517 0.1167
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 0.4517 1
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.0057 0.4517 1
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0054 0.3793 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.3793 0.2311
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 0.4517 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 0.4517 1
Onchocerca volvulus 0.0054 0.3793 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.91 uM Inhibition of human ER alpha mannosidase 1 ChEMBL. 23151473
Ki (binding) = 11.27 uM Inhibition of human golgi alpha mannosidase 2 ChEMBL. 23151473

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

1 literature reference was collected for this gene.

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