Detailed information for compound 1504383

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 373.35 | Formula: C15H14F3N3O3S
  • H donors: 3 H acceptors: 3 LogP: 2.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)[C@@H]1[C@H](NC(=S)N[C@@]1(O)C(F)(F)F)c1cccc(c1)C#N
  • InChi: 1S/C15H14F3N3O3S/c1-2-24-12(22)10-11(9-5-3-4-8(6-9)7-19)20-13(25)21-14(10,23)15(16,17)18/h3-6,10-11,23H,2H2,1H3,(H2,20,21,25)/t10-,11+,14-/m0/s1
  • InChiKey: UPUGJZNUONSAAN-WDMOLILDSA-N  


Substructure search Similarity search

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
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0025 0.0559 0.0559
Leishmania major AMP deaminase, putative 0.0027 0.0964 0.0429
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.0027 0.0964 0.0429
Schistosoma mansoni adenosine deaminase 0.0084 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.004 0.306 0.265
Loa Loa (eye worm) hypothetical protein 0.0084 1 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.004 0.306 0.265
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.0027 0.0964 0.0429
Entamoeba histolytica adenosine deaminase, putative 0.0084 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.004 0.306 0.265
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.004 0.306 0.265
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0084 1 1
Trypanosoma brucei AMP deaminase, putative 0.0027 0.0964 0.162
Plasmodium falciparum AMP deaminase, putative 0.0027 0.0964 0.0429
Plasmodium falciparum adenosine deaminase 0.0084 1 1
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0027 0.0964 0.162
Trypanosoma cruzi AMP deaminase, putative 0.0027 0.0964 0.162
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.004 0.306 1
Entamoeba histolytica AMP deaminase, putative 0.0027 0.0964 0.0429
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.004 0.306 0.265
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0084 1 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.0084 1 1
Schistosoma mansoni AMP deaminase 0.0027 0.0964 0.0429
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0027 0.0964 0.162
Plasmodium vivax adenosine deaminase, putative 0.0084 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.004 0.306 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0025 0.0559 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0027 0.0964 0.162
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.004 0.306 0.265
Loa Loa (eye worm) AMP deaminase 0.0027 0.0964 0.0429
Mycobacterium ulcerans adenosine deaminase 0.0084 1 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.004 0.306 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0964 0.0429
Trypanosoma cruzi AMP deaminase 2, putative 0.0027 0.0964 0.162
Echinococcus multilocularis adenosine deaminase 0.0084 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0025 0.0559 0.0559
Toxoplasma gondii AMP deaminase 0.0027 0.0964 0.0964
Onchocerca volvulus Adenosine deaminase homolog 0.0084 1 1
Schistosoma mansoni adenosine deaminase-related 0.0084 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0027 0.0964 0.162
Plasmodium vivax adenosine/AMP deaminase, putative 0.0027 0.0964 0.0429
Trypanosoma brucei AMP deaminase, putative 0.0027 0.0964 0.162
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0027 0.0964 0.162
Loa Loa (eye worm) hypothetical protein 0.0057 0.5634 0.5376
Echinococcus multilocularis AMP deaminase 2 0.0027 0.0964 0.0429
Echinococcus granulosus adenosine deaminase 0.0084 1 1
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0084 1 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0027 0.0964 0.162
Echinococcus granulosus AMP deaminase 2 0.0027 0.0964 0.0429
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.004 0.306 0.265
Loa Loa (eye worm) hypothetical protein 0.0057 0.5634 0.5376
Loa Loa (eye worm) hypothetical protein 0.0057 0.5634 0.5376
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.004 0.306 0.265
Treponema pallidum adenosine deaminase 0.0084 1 0.5
Leishmania major hypothetical protein, conserved 0.0027 0.0964 0.0429
Entamoeba histolytica adenosine deaminase, putative 0.0084 1 1
Trypanosoma brucei AMP deaminase, putative 0.0027 0.0964 0.162
Brugia malayi adenosine monophosphate deaminase 0.0027 0.0964 0.0429
Entamoeba histolytica AMP deaminase, putative 0.0027 0.0964 0.0429
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.004 0.306 0.265
Loa Loa (eye worm) hypothetical protein 0.0057 0.5634 0.5376
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0084 1 1
Leishmania major adenine aminohydrolase 0.0084 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0084 1 1
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.0027 0.0964 0.0429
Trypanosoma cruzi AMP deaminase, putative 0.0027 0.0964 0.162

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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