Detailed information for compound 1670339

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 587.573 | Formula: C27H26FN3O9S
  • H donors: 6 H acceptors: 9 LogP: 1.61 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 3
  • SMILES: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@@H]1Cc3c(F)cc(c(c3C(=O)C1=C2O)O)NS(=O)(=O)c1ccccc1)O)O)C
  • InChi: 1S/C27H26FN3O9S/c1-31(2)20-14-9-11-8-13-15(28)10-16(30-41(39,40)12-6-4-3-5-7-12)21(32)18(13)22(33)17(11)24(35)27(14,38)25(36)19(23(20)34)26(29)37/h3-7,10-11,14,20,30,32,34-35,38H,8-9H2,1-2H3,(H2,29,37)/t11-,14-,20-,27-/m0/s1
  • InChiKey: JQFUAMILMGQLBW-RHXLWHNRSA-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) hypothetical protein 0.0369 0.3501 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.0917 0.2619
Schistosoma mansoni CD36-like class B scavenger receptor 0.0369 0.3501 1
Schistosoma mansoni CD36-like class B scavenger receptor 0.0369 0.3501 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0201 0.1604 0.1604
Loa Loa (eye worm) hypothetical protein 0.0139 0.0917 0.2619
Echinococcus multilocularis CD36 class B scavenger receptor 0.0369 0.3501 0.3501
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.0369 0.3501 0.5
Schistosoma mansoni hypothetical protein 0.0185 0.1423 0.4065
Echinococcus granulosus CD36 class B scavenger receptor 0.0369 0.3501 1
Schistosoma mansoni cd36 antigen 0.0139 0.0917 0.2619
Brugia malayi CD36 family protein 0.0369 0.3501 1
Echinococcus multilocularis lysosome membrane protein 2 0.0369 0.3501 0.3501
Echinococcus multilocularis CD36 class B scavenger receptor 0.0369 0.3501 0.3501
Loa Loa (eye worm) hypothetical protein 0.0139 0.0917 0.2619
Echinococcus granulosus lysosome membrane protein 2 0.0369 0.3501 1
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.0369 0.3501 1
Echinococcus granulosus CD36 class B scavenger receptor 0.0369 0.3501 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0369 0.3501 0.3501
Echinococcus granulosus CD36 class B scavenger receptor 0.0369 0.3501 1
Echinococcus granulosus CD36 class B scavenger receptor 0.0369 0.3501 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0201 0.1604 0.4581
Brugia malayi hypothetical protein 0.0139 0.0917 0.2619
Echinococcus multilocularis geminin 0.0185 0.1423 0.1423
Echinococcus granulosus CD36 class B scavenger receptor 0.0369 0.3501 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0369 0.3501 0.3501
Loa Loa (eye worm) hypothetical protein 0.0369 0.3501 1
Echinococcus granulosus geminin 0.0185 0.1423 0.4065
Brugia malayi hypothetical protein 0.0139 0.0917 0.2619
Schistosoma mansoni hypothetical protein 0.0309 0.2828 0.8077
Loa Loa (eye worm) hypothetical protein 0.0369 0.3501 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0369 0.3501 0.3501
Schistosoma mansoni hypothetical protein 0.0185 0.1423 0.4065

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 32 ug ml-1 Antibacterial activity against Escherichia coli isolate EC155 expressing tetA gene ChEMBL. 22148555

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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