Detailed information for compound 944390

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.46 | Formula: C18H23N3OS
  • H donors: 1 H acceptors: 2 LogP: 2.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ncc(s1)CN1CCC(CC1)c1cccc(c1)C
  • InChi: 1S/C18H23N3OS/c1-13-4-3-5-16(10-13)15-6-8-21(9-7-15)12-17-11-19-18(23-17)20-14(2)22/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,19,20,22)
  • InChiKey: FGDGBQIAOLLRHU-UHFFFAOYSA-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
Rattus norvegicus Protein O-GlcNAcase Starlite/ChEMBL References
Homo sapiens meningioma expressed antigen 5 (hyaluronidase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma japonicum ko:K01262 X-Pro aminopeptidase [EC3.4.11.9], putative Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma japonicum Bifunctional protein NCOAT, putative Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma japonicum ko:K01197 hyaluronoglucosaminidase [EC3.2.1.35], putative Get druggable targets OG5_131612 All targets in OG5_131612
Loa Loa (eye worm) hyaluronidase Get druggable targets OG5_131612 All targets in OG5_131612
Echinococcus granulosus bifunctional protein NCOAT Get druggable targets OG5_131612 All targets in OG5_131612
Echinococcus multilocularis bifunctional protein NCOAT Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma mansoni aminopeptidase P homologue (M24 family) Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma mansoni Hyaluronidase Get druggable targets OG5_131612 All targets in OG5_131612
Brugia malayi Hyaluronidase family protein Get druggable targets OG5_131612 All targets in OG5_131612

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 multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0977 1 1
Schistosoma mansoni Hyaluronidase 0.0654 0.5387 0.5
Loa Loa (eye worm) hyaluronidase 0.0654 0.5387 0.5634
Loa Loa (eye worm) hypothetical protein 0.0867 0.8426 0.8812
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0977 1 1
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0654 0.5387 0.5
Loa Loa (eye worm) hypothetical protein 0.0946 0.9562 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) < 0.2 uM Inhibition of OGA in rat B35 cells after 16 hrs ChEMBL. 25516783
IC50 (binding) < 0.2 uM Inhibition of human His-tagged OGA using fluorescein mono-beta-D-(2-deoxy-2-A/- acetyl) glucopyranoside as substrate after 60 mins by fluorescence assay ChEMBL. 25516783

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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