Detailed information for compound 699508

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.55 | Formula: C25H26N2O4S
  • H donors: 1 H acceptors: 3 LogP: 4.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C25H26N2O4S/c1-18-5-12-23(13-6-18)32(29,30)27-15-3-4-20-17-21(9-14-24(20)27)26-25(28)16-19-7-10-22(31-2)11-8-19/h5-14,17H,3-4,15-16H2,1-2H3,(H,26,28)
  • InChiKey: SCNYJSWVEMLSKD-UHFFFAOYSA-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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.024 0.3046 0.3046
Brugia malayi Transient-receptor-potential like protein 0.0264 0.3397 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0469 0.644 0.4609
Echinococcus granulosus tm gpcr rhodopsin 0.0541 0.7503 0.6218
Echinococcus granulosus short transient receptor potential channel 6 0.0469 0.644 0.4609
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0238 0.07
Onchocerca volvulus Huntingtin homolog 0.0125 0.1333 0.5
Echinococcus multilocularis transient receptor potential ion channel A 0.0686 0.9649 0.9469
Loa Loa (eye worm) hypothetical protein 0.0445 0.609 0.609
Echinococcus granulosus transient receptor potential ion channel A 0.0686 0.9649 0.9469
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0541 0.7503 0.6218
Loa Loa (eye worm) hypothetical protein 0.0709 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0238 0.0238
Onchocerca volvulus Huntingtin homolog 0.0125 0.1333 0.5
Schistosoma mansoni transient receptor potential channel 0.0709 1 1
Echinococcus granulosus short transient receptor potential channel 6 0.0469 0.644 0.4609
Schistosoma mansoni transient receptor potential channel 4 0.0709 1 1
Brugia malayi hypothetical protein 0.0125 0.1333 0.3923
Schistosoma mansoni transient receptor potential channel 0.0469 0.644 0.644
Loa Loa (eye worm) hypothetical protein 0.0125 0.1333 0.1333
Echinococcus multilocularis short transient receptor potential channel 6 0.0469 0.644 0.4609
Loa Loa (eye worm) hypothetical protein 0.0264 0.3397 0.3397
Echinococcus multilocularis transient receptor potential gamma protein 0.0709 1 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1333 0.1333
Schistosoma mansoni transient receptor potential channel 0.0469 0.644 0.644
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0238 0.07

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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