Detailed information for compound 332940

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 248.321 | Formula: C14H20N2O2
  • H donors: 4 H acceptors: 2 LogP: -0.11 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1CN[C@@H]([C@H]1O)CNC1CCc2c1cccc2
  • InChi: 1S/C14H20N2O2/c17-13-8-16-12(14(13)18)7-15-11-6-5-9-3-1-2-4-10(9)11/h1-4,11-18H,5-8H2/t11?,12-,13+,14-/m1/s1
  • InChiKey: WHMUBFWFVIHUPX-WTUNAVPPSA-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
Glycine max Alpha-mannosidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 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
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Schistosoma japonicum Mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, 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 endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative Get druggable targets OG5_126925 All targets in OG5_126925
Schistosoma japonicum Mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, 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 conserved 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
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 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
Candida albicans alpha mannosidase 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
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
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
Loa Loa (eye worm) mannosidase 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
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-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
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_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
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
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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei gambiense mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Alpha-mannosidase   578 aa 485 aa 33.0 %
Trypanosoma congolense mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Alpha-mannosidase   578 aa 486 aa 32.9 %
Echinococcus granulosus er degradation enhancing alpha mannosidase Alpha-mannosidase   578 aa 476 aa 29.6 %
Trypanosoma brucei mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Alpha-mannosidase   578 aa 490 aa 33.7 %
Trypanosoma brucei mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Alpha-mannosidase   578 aa 483 aa 32.5 %
Trypanosoma cruzi mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Alpha-mannosidase   578 aa 524 aa 31.5 %
Schistosoma mansoni mannosyl-oligosaccharidealpha-12-mannosidase-r el ated Alpha-mannosidase   578 aa 476 aa 32.1 %
Trypanosoma cruzi mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Alpha-mannosidase   578 aa 493 aa 31.8 %
Schistosoma mansoni mannosyl-oligosaccharidealpha-12-mannosidase-r el ated Alpha-mannosidase   578 aa 476 aa 31.9 %
Echinococcus granulosus er degradation enhancing alpha mannosidase Alpha-mannosidase   578 aa 477 aa 32.7 %
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha Alpha-mannosidase   578 aa 473 aa 31.5 %
Echinococcus multilocularis er degradation enhancing alpha mannosidase Alpha-mannosidase   578 aa 476 aa 31.7 %
Trypanosoma congolense mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Alpha-mannosidase   578 aa 486 aa 32.9 %
Schistosoma japonicum ko:K10085 ER degradation enhancer, mannosidase alpha-like 2, putative Alpha-mannosidase   578 aa 481 aa 31.8 %
Onchocerca volvulus Alpha-mannosidase   578 aa 495 aa 30.1 %
Loa Loa (eye worm) hypothetical protein Alpha-mannosidase   578 aa 498 aa 31.7 %
Onchocerca volvulus Putative glutamate--tRNA ligase, mitochondrial Alpha-mannosidase   578 aa 497 aa 32.2 %
Trypanosoma cruzi mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Alpha-mannosidase   578 aa 521 aa 31.1 %
Trypanosoma brucei mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Alpha-mannosidase   578 aa 486 aa 33.1 %
Candida albicans similar to alpha-mannosidase Alpha-mannosidase   578 aa 491 aa 27.7 %
Candida albicans similar to alpha-mannosidase Alpha-mannosidase   578 aa 491 aa 27.7 %
Trypanosoma brucei gambiense mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative Alpha-mannosidase   578 aa 486 aa 33.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0057 1 0.5
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.0057 1 0.5
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0057 1 0.5
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 1 0.5
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 1 0.5
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 1 0.5
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 1 0.5
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 1 0.5
Loa Loa (eye worm) mannosidase 0.0057 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 1 0.5
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0057 1 0.5
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0057 1 0.5
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 1 0.5
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0057 1 0.5
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 1 1
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.0057 1 0.5
Echinococcus multilocularis transfer RNA-Trp 0.0057 1 0.5
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 1 0.5
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0057 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 17 uM Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean ChEMBL. 15974577
IC50 (binding) = 17 uM Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean ChEMBL. 15974577
Ki (binding) = 2.3 uM Binding affinity towards alpha-Mannosidase isolated from Jack bean ChEMBL. 15974577
Ki (binding) = 2.3 uM Binding affinity towards alpha-Mannosidase isolated from Jack bean ChEMBL. 15974577

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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