Detailed information for compound 354755

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 243.227 | Formula: C8H16F3N3O2
  • H donors: 3 H acceptors: 2 LogP: 1.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.CCCC/N=C(/NC)\N
  • InChi: 1S/C6H15N3.C2HF3O2/c1-3-4-5-9-6(7)8-2;3-2(4,5)1(6)7/h3-5H2,1-2H3,(H3,7,8,9);(H,6,7)
  • InChiKey: BIRUJVIPFZZPOJ-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
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.5502 1 0.5
Plasmodium vivax adenosine deaminase, putative 0.5502 1 1
Treponema pallidum adenosine deaminase 0.5502 1 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.5502 1 0.5
Schistosoma mansoni adenosine deaminase 0.5502 1 1
Trypanosoma cruzi AMP deaminase, putative 0.2605 0 0.5
Loa Loa (eye worm) hypothetical protein 0.3488 0.3049 0.3049
Trypanosoma brucei AMP deaminase, putative 0.2605 0 0.5
Loa Loa (eye worm) hypothetical protein 0.3488 0.3049 0.3049
Entamoeba histolytica adenosine deaminase, putative 0.5502 1 1
Trypanosoma cruzi AMP deaminase, putative 0.2605 0 0.5
Loa Loa (eye worm) hypothetical protein 0.5502 1 1
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.2605 0 0.5
Leishmania major adenine aminohydrolase 0.5502 1 1
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.2605 0 0.5
Entamoeba histolytica adenosine deaminase, putative 0.5502 1 1
Trypanosoma cruzi AMP deaminase, putative 0.2605 0 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.5502 1 1
Trypanosoma brucei AMP deaminase, putative 0.2605 0 0.5
Echinococcus granulosus adenosine deaminase 0.5502 1 1
Onchocerca volvulus Adenosine deaminase homolog 0.5502 1 1
Mycobacterium ulcerans adenosine deaminase 0.5502 1 0.5
Trypanosoma cruzi AMP deaminase, putative 0.2605 0 0.5
Trypanosoma cruzi AMP deaminase, putative 0.2605 0 0.5
Trypanosoma brucei AMP deaminase, putative 0.2605 0 0.5
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.2605 0 0.5
Loa Loa (eye worm) hypothetical protein 0.3488 0.3049 0.3049
Plasmodium falciparum adenosine deaminase 0.5502 1 1
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.5502 1 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.5502 1 0.5
Schistosoma mansoni adenosine deaminase-related 0.5502 1 1
Loa Loa (eye worm) hypothetical protein 0.3488 0.3049 0.3049
Echinococcus multilocularis adenosine deaminase 0.5502 1 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.5502 1 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 100 uM Antifungal activity against Penicillium chrysogenum IFO 4626 ChEMBL. 16403624
MIC (functional) > 400 uM Antimicrobial activity against Saccharomyces cerevisiae X2180 1A ChEMBL. 16403624
MIC (functional) > 400 uM Antimicrobial activity against Saccharomyces cerevisiae IFO 0203 ChEMBL. 16403624
MIC (functional) > 400 uM Antimicrobial activity against Schizosaccharomyces pombe IFO 0342 ChEMBL. 16403624
MIC (functional) > 400 uM Antimicrobial activity against Schizosaccharomyces pombe L972 h- ChEMBL. 16403624
MIC (functional) > 400 uM Antimicrobial activity against Schizosaccharomyces pombe SA21 h+ ChEMBL. 16403624
MIC (functional) > 400 uM Antimicrobial activity against Candida albicans IFO 1061 ChEMBL. 16403624
MIC (functional) > 400 uM Antimicrobial activity against Rhodotorula mucilaginosa IFO 0001 ChEMBL. 16403624
MIC (functional) > 400 uM Antifungal activity against Aspergillus niger ATCC 6275 ChEMBL. 16403624
MIC (functional) > 400 uM Antifungal activity against Mucor mucedo IFO 7684 ChEMBL. 16403624
MIC (functional) > 400 uM Antifungal activity against Rhizopus oryzae IFO 4766 ChEMBL. 16403624
MIC (functional) = 400 uM Antibacterial activity against Escherichia coli IFO 2545 ChEMBL. 16403624
MIC (functional) > 400 uM Antibacterial activity against Bacillus subtilis IFO 3007 ChEMBL. 16403624
MIC (functional) > 400 uM Antibacterial activity against Micrococcus luteus IFO 3333 ChEMBL. 16403624
MIC (functional) > 400 uM Antimicrobial activity against Saccharomyces cerevisiae X2180 1A ChEMBL. 16403624
MIC (functional) > 400 uM Antimicrobial activity against Saccharomyces cerevisiae IFO 0203 ChEMBL. 16403624
MIC (functional) > 400 uM Antimicrobial activity against Candida albicans IFO 1061 ChEMBL. 16403624
MIC (functional) = 400 uM Antibacterial activity against Escherichia coli IFO 2545 ChEMBL. 16403624

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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