Detailed information for compound 1945328

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 427.49 | Formula: C24H29NO6
  • H donors: 0 H acceptors: 1 LogP: 3.95 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1CC[C@@H]2[C@@]34[C@H]1CC[C@@](OO3)(O[C@H]4OC(=O)[C@@]12ON2[C@@H](C1)c1ccccc1CC2)C
  • InChi: 1S/C24H29NO6/c1-14-7-8-19-23(13-18-16-6-4-3-5-15(16)10-12-25(18)29-23)20(26)27-21-24(19)17(14)9-11-22(2,28-21)30-31-24/h3-6,14,17-19,21H,7-13H2,1-2H3/t14-,17+,18+,19+,21-,22-,23-,24-/m1/s1
  • InChiKey: NRENIRQWPVAXLR-YRLRYUHCSA-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
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0131 0.2673 0.2817
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0131 0.2673 0.2817
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0131 0.2673 0.2817
Trichomonas vaginalis set domain proteins, putative 0.0287 0.7533 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0131 0.2673 0.2817
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.6447 0.6447
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0131 0.2673 0.2817
Schistosoma mansoni hypothetical protein 0.0205 0.4987 0.5255
Loa Loa (eye worm) hypothetical protein 0.0131 0.2673 0.2673
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0131 0.2673 0.2817
Onchocerca volvulus 0.0131 0.2673 0.2673
Loa Loa (eye worm) hypothetical protein 0.0157 0.3492 0.3492
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0279 0.7274 0.5
Onchocerca volvulus Putative nachr subunit 0.0131 0.2673 0.2673
Schistosoma mansoni hypothetical protein 0.0205 0.4987 0.5255
Echinococcus granulosus geminin 0.0205 0.4987 0.5255
Onchocerca volvulus 0.0131 0.2673 0.2673
Onchocerca volvulus 0.0131 0.2673 0.2673
Schistosoma mansoni calcium-activated potassium channel 0.035 0.9489 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.2673 0.2673
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0131 0.2673 0.2673
Onchocerca volvulus 0.0287 0.7533 0.7533
Loa Loa (eye worm) hypothetical protein 0.0131 0.2673 0.2673
Loa Loa (eye worm) hypothetical protein 0.011 0.2021 0.2021
Brugia malayi Cation transporter family protein 0.0131 0.2673 0.2673
Echinococcus multilocularis small conductance calcium activated potassium 0.035 0.9489 1
Schistosoma mansoni calcium-activated potassium channel 0.0333 0.8957 0.944
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0131 0.2673 0.2817
Loa Loa (eye worm) hypothetical protein 0.035 0.9489 0.9489
Loa Loa (eye worm) hypothetical protein 0.0175 0.4053 0.4053
Schistosoma mansoni hypothetical protein 0.035 0.9489 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0131 0.2673 0.2817
Echinococcus granulosus small conductance calcium activated potassium 0.035 0.9489 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0131 0.2673 0.2673
Echinococcus multilocularis geminin 0.0205 0.4987 0.5255
Brugia malayi Pre-SET motif family protein 0.0252 0.6447 0.6447

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.
 
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

No literature references available for this target.

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