Detailed information for compound 33839

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.289 | Formula: C18H11FN2O5
  • H donors: 0 H acceptors: 4 LogP: 2.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(n1cc(F)c(=O)n(c1=O)C(=O)c1ccccc1)Oc1ccccc1
  • InChi: 1S/C18H11FN2O5/c19-14-11-20(18(25)26-13-9-5-2-6-10-13)17(24)21(16(14)23)15(22)12-7-3-1-4-8-12/h1-11H
  • InChiKey: VNYUHZUPVNGOMR-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) bone morphogenic protein 6 0.0065 0.4312 0.4312
Plasmodium falciparum cysteine repeat modular protein 1 0.0041 0.1801 0.5
Brugia malayi Transforming growth factor beta like domain containing protein 0.0065 0.4312 0.4312
Echinococcus granulosus tissue type plasminogen activator 0.0041 0.1801 0.4178
Loa Loa (eye worm) TK/ROR protein kinase 0.0041 0.1801 0.1801
Giardia lamblia Hypothetical protein 0.0064 0.4255 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.1801 0.5
Echinococcus multilocularis anti dorsalizing morphogenetic protein 1a 0.0065 0.4312 1
Onchocerca volvulus 0.0041 0.1801 1
Toxoplasma gondii kringle domain-containing protein 0.0041 0.1801 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.1801 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1801 0.1801
Brugia malayi Fibroblast growth factor family protein 0.0064 0.4255 0.4255
Brugia malayi Fibroblast growth factor family protein 0.0064 0.4255 0.4255
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0041 0.1801 0.5
Loa Loa (eye worm) hypothetical protein 0.0118 1 1
Brugia malayi Protein kinase domain containing protein 0.0041 0.1801 0.1801
Echinococcus granulosus anti dorsalizing morphogenetic protein 1a 0.0065 0.4312 1
Brugia malayi Kringle domain containing protein 0.0041 0.1801 0.1801
Leishmania major hypothetical protein, conserved 0.0041 0.1801 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.0041 0.1801 0.4178
Loa Loa (eye worm) hypothetical protein 0.0064 0.4255 0.4255
Loa Loa (eye worm) hypothetical protein 0.0064 0.4255 0.4255

Activities

Activity type Activity value Assay description Source Reference
T/C (functional) = 99 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 25 mg/kg i.p. ChEMBL. 7452684
T/C (functional) = 99 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 25 mg/kg i.p. ChEMBL. 7452684
T/C (functional) = 107 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 200 mg/kg i.p. ChEMBL. 7452684
T/C (functional) = 107 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 200 mg/kg i.p. ChEMBL. 7452684
T/C (functional) = 112 % Antitumor activity against P-388 Leukemia in female BDF1 mice expressed as percent T/C at dose 50 mg/kg ChEMBL. 7452684
T/C (functional) = 112 % Antitumor activity against P-388 Leukemia in female BDF1 mice expressed as percent T/C at dose 50 mg/kg ChEMBL. 7452684
T/C (functional) = 119 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 100 mg/kg i.p. ChEMBL. 7452684
T/C (functional) = 119 % Percentage change in median survival time of P388 (leukaemia) inoculated female mice following 100 mg/kg i.p. ChEMBL. 7452684

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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