Detailed information for compound 228155

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.268 | Formula: C15H11F3N4O3
  • H donors: 1 H acceptors: 4 LogP: 2.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(NN1C(=O)C=C(C1=O)C)nc(n2)C(F)(F)F
  • InChi: 1S/C15H11F3N4O3/c1-7-5-11(23)22(13(7)24)21-12-9-6-8(25-2)3-4-10(9)19-14(20-12)15(16,17)18/h3-6H,1-2H3,(H,19,20,21)
  • InChiKey: SKPITPXFBUQLOO-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
Onchocerca volvulus 0.1402 0.1846 0.0894
Leishmania major AMP deaminase, putative 0.1721 0.3297 0.2514
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1402 0.1846 0.1846
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1402 0.1846 0.1846
Loa Loa (eye worm) hypothetical protein 0.197 0.4426 0.3776
Plasmodium falciparum adenosine deaminase 0.3196 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Echinococcus multilocularis adenosine deaminase 0.3196 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Onchocerca volvulus 0.1402 0.1846 0.0894
Trypanosoma cruzi aldo-keto reductase 0.1402 0.1846 0.3557
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1402 0.1846 0.1846
Onchocerca volvulus 0.1402 0.1846 0.0894
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1402 0.1846 0.0894
Loa Loa (eye worm) oxidoreductase 0.1402 0.1846 0.0894
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.3196 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1402 0.1846 0.1846
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.1721 0.3297 0.2514
Echinococcus multilocularis AMP deaminase 2 0.1721 0.3297 0.3297
Entamoeba histolytica adenosine deaminase, putative 0.3196 1 1
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.1721 0.3297 0.2514
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.1721 0.3297 0.2514
Echinococcus multilocularis aldo keto reductase 0.1402 0.1846 0.1846
Onchocerca volvulus 0.1402 0.1846 0.0894
Onchocerca volvulus 0.1402 0.1846 0.0894
Echinococcus multilocularis aldo keto reductase 0.1402 0.1846 0.1846
Plasmodium vivax adenosine deaminase, putative 0.3196 1 1
Loa Loa (eye worm) hypothetical protein 0.197 0.4426 0.3776
Entamoeba histolytica AMP deaminase, putative 0.1721 0.3297 0.1779
Schistosoma mansoni adenosine deaminase-related 0.3196 1 1
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.3196 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1402 0.1846 0.1846
Trypanosoma brucei AMP deaminase, putative 0.1721 0.3297 1
Trypanosoma brucei AMP deaminase, putative 0.1721 0.3297 1
Trichomonas vaginalis adenosine deaminase, putative 0.3196 1 1
Echinococcus multilocularis aldo keto reductase 0.1402 0.1846 0.1846
Onchocerca volvulus Adenosine deaminase homolog 0.3196 1 1
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.1721 0.3297 1
Giardia lamblia Aldose reductase 0.1402 0.1846 0.5
Loa Loa (eye worm) hypothetical protein 0.197 0.4426 0.3776
Echinococcus granulosus hypothetical protein 0.1402 0.1846 0.1846
Trypanosoma brucei AMP deaminase, putative 0.1721 0.3297 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1402 0.1846 0.1846
Trypanosoma cruzi AMP deaminase, putative 0.1721 0.3297 1
Echinococcus granulosus aldo keto reductase 0.1402 0.1846 0.1846
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Loa Loa (eye worm) hypothetical protein 0.1402 0.1846 0.0894
Loa Loa (eye worm) hypothetical protein 0.197 0.4426 0.3776
Echinococcus granulosus aldo keto reductase 0.1402 0.1846 0.1846
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Trichomonas vaginalis adenosine deaminase, putative 0.3196 1 1
Schistosoma mansoni adenosine deaminase 0.3196 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1402 0.1846 0.1846
Trypanosoma cruzi AMP deaminase, putative 0.1721 0.3297 1
Echinococcus granulosus aldo keto reductase 0.1402 0.1846 0.1846
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Entamoeba histolytica AMP deaminase, putative 0.1721 0.3297 0.1779
Leishmania major aldo-keto reductase-like protein 0.1402 0.1846 0.0894
Loa Loa (eye worm) oxidoreductase 0.1402 0.1846 0.0894
Toxoplasma gondii AMP deaminase 0.1721 0.3297 0.1779
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.3196 1 1
Leishmania major prostaglandin f synthase, putative 0.1402 0.1846 0.0894
Loa Loa (eye worm) hypothetical protein 0.3196 1 1
Loa Loa (eye worm) AMP deaminase 0.1721 0.3297 0.2514
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1402 0.1846 0.1846
Treponema pallidum adenosine deaminase 0.3196 1 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.1402 0.1846 0.3557
Brugia malayi adenosine monophosphate deaminase 0.1721 0.3297 0.1779
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Onchocerca volvulus 0.1402 0.1846 0.0894
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1402 0.1846 0.0894
Echinococcus multilocularis aldo keto reductase 0.1402 0.1846 0.1846
Echinococcus granulosus adenosine deaminase 0.3196 1 1
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.1721 0.3297 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Trypanosoma cruzi AMP deaminase, putative 0.1721 0.3297 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1402 0.1846 0.1846
Echinococcus granulosus AMP deaminase 2 0.1721 0.3297 0.3297
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.3196 1 1
Mycobacterium ulcerans adenosine deaminase 0.3196 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1402 0.1846 0.1846
Loa Loa (eye worm) oxidoreductase 0.1402 0.1846 0.0894
Trypanosoma cruzi AMP deaminase, putative 0.1721 0.3297 1
Onchocerca volvulus AMP deaminase 2 homolog 0.1721 0.3297 0.2514
Loa Loa (eye worm) oxidoreductase 0.1402 0.1846 0.0894
Giardia lamblia Aldose reductase 0.1402 0.1846 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1402 0.1846 0.1846
Trypanosoma cruzi AMP deaminase, putative 0.1721 0.3297 1
Leishmania major adenine aminohydrolase 0.3196 1 1
Entamoeba histolytica adenosine deaminase, putative 0.3196 1 1
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.1721 0.3297 1
Loa Loa (eye worm) oxidoreductase 0.1402 0.1846 0.0894
Schistosoma mansoni AMP deaminase 0.1721 0.3297 0.1779

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.03 uM Inhibition of AP-1 and NF-kB mediated transcriptional activation in Jurkat T-cells ChEMBL. 14592511

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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